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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:9124577

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Confidence Level: 0

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AUTHORS: PMID:12663868;PMID:16622704;PMID:17404808

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AUTHORS: PMID:12663868;PMID:16622704;PMID:17404808

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AUTHORS: PMID:16858612

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Confidence Level: 0

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AUTHORS: PMID:2753893;PMID:10064732

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Confidence Level: 0

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AUTHORS: PMID:12883891;PMID:12856180;PMID:11023036;PMID:1554704;PMID:18021224;PMID:4553030;PMID:793184;PMID:8725559;PMID:8781017;PMID:12739169

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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AUTHORS: PMID:15209530

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AUTHORS: PMID:12663868;PMID:16622704;PMID:17404808

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AUTHORS: PMID:15297262

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AUTHORS: PMID:12759755

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Confidence Level: 0

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Confidence Level: 0

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Confidence Level: 0

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:14977409;PMID:4469603

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Confidence Level: 0

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AUTHORS: PMID:14977409

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Confidence Level: 0

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AUTHORS: PMID:18124509;PMID:6027578

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Confidence Level: 0

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AUTHORS: PMID:12750891

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Confidence Level: 0

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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Confidence Level: 0

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AUTHORS: PMID:14579113

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AUTHORS: PMID:14579113

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Confidence Level: 0

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AUTHORS: PMID:10334869;PMID:12603856;PMID:17024033;PMID:9516450

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Confidence Level: 0

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AUTHORS: PMID:1550832;PMID:8438778

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Confidence Level: 0

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AUTHORS: PMID:12856181;PMID:10772724

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Confidence Level: 0

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AUTHORS: PMID:12838422;PMID:168203;PMID:3728675;PMID:8438778;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:6778226;PMID:7479738;PMID:7419607;PMID:1260500

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Confidence Level: 0

+

AUTHORS: PMID:12838422;PMID:168203;PMID:3728675;PMID:8438778;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:6778226;PMID:7479738;PMID:7419607;PMID:1260500

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Confidence Level: 0

+

AUTHORS: PMID:14770310;PMID:11004451;PMID:15465786;PMID:16082501;PMID:17466261;PMID:7718542;PMID:10049700;PMID:10072483;PMID:10391915;PMID:10574970;PMID:11311135;PMID:11389679;PMID:11557028;PMID:11564694;PMID:11742812;PMID:11827462;PMID:12117417;PMID:12824232;PMID:14574404;PMID:7690540;PMID:9751058;PMID:9759917;PMID:12883891;PMID:16288981;PMID:1904693;PMID:4424190;PMID:6432599;PMID:9868191

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Confidence Level: 0

+

AUTHORS: PMID:11780753;PMID:11882499;PMID:12750891;PMID:16669350;PMID:1701966;PMID:3399500

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Confidence Level: 0

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AUTHORS: PMID:3888072

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Confidence Level: 0

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AUTHORS: PMID:7419607

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Confidence Level: 0

+

AUTHORS: PMID:12838422;PMID:168203;PMID:3728675;PMID:8438778;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:6778226;PMID:7479738;PMID:7419607;PMID:1260500

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AUTHORS: PMID:3888072;PMID:4684694

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Confidence Level: 0

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:3888072;PMID:911815

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AUTHORS: PMID:12739169;PMID:18305372

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Confidence Level: 0

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AUTHORS: PMID:14770309;PMID:14770310

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Confidence Level: 0

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AUTHORS: PMID:14530974

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Confidence Level: 0

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AUTHORS: PMID:11287335;PMID:11327718

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Confidence Level: 0

+

AUTHORS: PMID:12107270;PMID:12739169;PMID:12829793;PMID:17245649;PMID:18375207;PMID:8476015;PMID:8557697;PMID:9786900

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Confidence Level: 0

+

AUTHORS: PMID:12107270;PMID:12739169;PMID:12829793;PMID:17173541;PMID:17245649;PMID:18305372;PMID:18375207;PMID:8476015;PMID:8557697;PMID:9651205;PMID:9786900

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AUTHORS: PMID:12739168;PMID:12915942

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:12759755

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AUTHORS: PMID:179827;PMID:9305892

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Confidence Level: 0

+

AUTHORS: PMID:10505683;PMID:10747366;PMID:11546670;PMID:12571750;PMID:12856182;PMID:8514890;PMID:9124577

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Confidence Level: 0

+

AUTHORS: PMID:10721894;PMID:11787643;PMID:12269802;PMID:12504794;PMID:16955229;PMID:17401668;PMID:18599538;PMID:3132542;PMID:487087;PMID:551321;PMID:6418146;PMID:7731061;PMID:8010975;PMID:8382624;PMID:8654117;PMID:8899554;PMID:911815;PMID:917262

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AUTHORS: PMID:16636297;PMID:18632827;PMID:8707261

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Confidence Level: 0

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AUTHORS: PMID:12739168;PMID:8640224

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Confidence Level: 0

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AUTHORS: PMID:15234337

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Confidence Level: 0

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AUTHORS: PMID:17928533

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Confidence Level: 0

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AUTHORS: PMID:12750891

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Confidence Level: 0

+

AUTHORS: PMID:12107270;PMID:12739169;PMID:12829793;PMID:17173541;PMID:17245649;PMID:18305372;PMID:18375207;PMID:8476015;PMID:8557697;PMID:9786900

+ + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12838422;PMID:168203;PMID:3728675;PMID:8438778;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:6778226;PMID:7479738;PMID:7419607;PMID:1260500

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AUTHORS: PMID:11004451;PMID:4684694;PMID:5096515;PMID:7388024

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AUTHORS: PMID:12856181;PMID:10772724

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Confidence Level: 0

+

AUTHORS: PMID:12838422;PMID:168203;PMID:3728675;PMID:8438778;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:6778226;PMID:7479738;PMID:7419607;PMID:1260500

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Confidence Level: 0

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AUTHORS: PMID:17928533

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:14977409

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Confidence Level: 0

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AUTHORS: PMID:1526979

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Confidence Level: 0

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AUTHORS: PMID:14770309;PMID:14770310

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Confidence Level: 0

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AUTHORS: PMID:12750891

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Confidence Level: 0

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AUTHORS: PMID:12883891

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:15234337

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Confidence Level: 0

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AUTHORS: PMID:12838422;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:7479738

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Confidence Level: 0

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AUTHORS: PMID:11023036;PMID:1554704;PMID:18021224;PMID:4553030;PMID:8725559

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

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AUTHORS: PMID:12838422;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:7479738

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:14977409

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:1526979

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Confidence Level: 0

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AUTHORS: PMID:12739169;PMID:18305372

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:14977409

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Confidence Level: 0

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Confidence Level: 0

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AUTHORS: PMID:11780753;PMID:11780754;PMID:11882499;PMID:16314530;PMID:16669350;PMID:9770484

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Confidence Level: 0

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AUTHORS: PMID:12838422;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:7479738

+ + + + + + + + + + + + + + + + + + +

Confidence Level: 0

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AUTHORS: PMID:12838422;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:7479738

+ + + + + + + + + + + + + + + +

Confidence Level: 0

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AUTHORS: PMID:12838422;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:7479738

+ + + + + + + + + + + + + + + +

Confidence Level: 0

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AUTHORS: PMID:12838422;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:7479738

+ + + + + + + + + + + + + + + +

Confidence Level: 0

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AUTHORS: PMID:12856181;PMID:10772724

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Confidence Level: 0

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AUTHORS: PMID:12856181;PMID:10772724

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Confidence Level: 0

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AUTHORS: PMID:12856181;PMID:10772724

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Confidence Level: 0

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AUTHORS: PMID:12856181;PMID:10772724

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

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AUTHORS: PMID:12838422;PMID:12006583;PMID:14747464;PMID:16595656;PMID:17187757;PMID:17279066;PMID:7479738

+ + + + + + + + + + + + + + + +

Confidence Level: 0

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AUTHORS: PMID:17466261;PMID:7718542;PMID:10049700;PMID:10072483;PMID:10391915;PMID:10574970;PMID:11004451;PMID:11311135;PMID:11389679;PMID:11557028;PMID:11564694;PMID:11742812;PMID:11827462;PMID:12117417;PMID:12824232;PMID:14574404;PMID:14770310;PMID:7690540;PMID:9751058;PMID:9759917;PMID:12883891;PMID:16288981;PMID:1904693;PMID:4424190;PMID:6432599;PMID:9868191;PMID:15465786;PMID:16082501

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:14770310;PMID:11004451;PMID:15465786;PMID:16082501;PMID:17466261;PMID:7718542;PMID:10049700;PMID:10072483;PMID:10391915;PMID:10574970;PMID:11311135;PMID:11389679;PMID:11557028;PMID:11564694;PMID:11742812;PMID:11827462;PMID:12117417;PMID:12824232;PMID:14574404;PMID:7690540;PMID:9751058;PMID:9759917;PMID:12883891;PMID:16288981;PMID:1904693;PMID:4424190;PMID:6432599;PMID:9868191

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:17466261;PMID:7718542;PMID:10049700;PMID:10072483;PMID:10391915;PMID:10574970;PMID:11004451;PMID:11311135;PMID:11389679;PMID:11557028;PMID:11564694;PMID:11742812;PMID:11827462;PMID:12117417;PMID:12824232;PMID:14574404;PMID:14770310;PMID:7690540;PMID:9751058;PMID:9759917;PMID:12883891;PMID:16288981;PMID:1904693;PMID:4424190;PMID:6432599;PMID:9868191;PMID:15465786;PMID:16082501

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID:12930836;UNIPROT:O75387;PMID:16288981;PMID:911815;PMID:10049700;PMID:10574970;PMID:11389679;PMID:11557028;PMID:11564694;PMID:12824232;PMID:14574404

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AUTHORS: PMID: 9321523, PMID: 9804052, PMID: 1976071, PMID: 1971563, PMID: 15998357, PMID: 9217719, PMID: 16388406.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9321523, PMID: 9804052, PMID: 1976071, PMID: 1971563, PMID: 15998357, PMID: 9217719, PMID: 16388406.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 16714062, PMID: 19785645.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9321523, PMID: 9804052, PMID: 1976071, PMID: 1971563, PMID: 15998357, PMID: 9217719, PMID: 16388406.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8104114

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8104114, PMID: 11368292

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 10064574, PMID: 11368292, PMID: 8104114, PMID: 9804052

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Sarkar, A., Tiwari, A., Bhasin, P. S., Mitra, M. (2011). Pharmacological ; Pharmaceutical Profile of Gliclazide: A Review. Journal of Applied Pharmaceutical Science 1(9): 11-19, Zayed, M., F. Nour El-Dien, et al. (2010). Mass spectra of gliclazide drug at various ion sources temperature: Its thermal behavior ; molecular orbital calculations. Journal of Thermal Analysis ; Calorimetry 102(1): 305-312, PMID: 1794262

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 18204476, PMID: 1794262, PMID: 17517049, PMID: 8825191, PMID: 3984386

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8825191.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Sarkar, A., Tiwari, A., Bhasin, P. S., Mitra, M. (2011). Pharmacological ; Pharmaceutical Profile of Gliclazide: A Review. Journal of Applied Pharmaceutical Science 1(9): 11-19, Zayed, M., F. Nour El-Dien, et al. (2010). Mass spectra of gliclazide drug at various ion sources temperature: Its thermal behavior ; molecular orbital calculations. Journal of Thermal Analysis ; Calorimetry 102(1): 305-312, PMID: 1794262

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Sarkar, A., Tiwari, A., Bhasin, P. S., Mitra, M. (2011). Pharmacological ; Pharmaceutical Profile of Gliclazide: A Review. Journal of Applied Pharmaceutical Science 1(9): 11-19, Zayed, M., F. Nour El-Dien, et al. (2010). Mass spectra of gliclazide drug at various ion sources temperature: Its thermal behavior ; molecular orbital calculations. Journal of Thermal Analysis ; Calorimetry 102(1): 305-312, PMID: 1794262

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 3984386

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8825191.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 18204476, PMID: 1794262, PMID: 17517049, PMID: 8825191, PMID: 3984386

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8825191.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9929499, PMID: 1680649, PMID: 9804052, PMID: 11192474

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 16714062, PMID: 17177112

+ + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 1680649, PMID: 11192473, PMID: 9804052, PMID: 16714062, PMID: 18563955

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 17655371

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 16930294, PMID: 20955690

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Graham, G. ; M. Hicks (2004). Pharmacokinetics ; Metabolism of Paracetamol (Acetaminophen). Aspirin ; Related Drugs, CRC Press., PMID: 11714888, PMID: 11215692

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 533560

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 2088871, PMID: 11535246, PMID: 9194521, PMID: 11215692, Graham, G. ; M. Hicks (2004). Pharmacokinetics ; Metabolism of Paracetamol (Acetaminophen). Aspirin ; Related Drugs, CRC Press.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8165189, PMID: 34689, Graham, G. ; M. Hicks (2004). Pharmacokinetics ; Metabolism of Paracetamol (Acetaminophen). Aspirin ; Related Drugs, CRC Press.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 14625347, PMID: 17722647.

+ + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 17655371

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Pang, K. S., Rodrigues, A. D., Peter, R. M. (2010). Enzyme ; Transporter-Based Drug-Drug Interactions: Progress ; Future Challenges, American Association of Pharmaceutical Scientists 2010, Springer Publications., PMID: 17655371

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8595701

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 1788988, PMID: 8361996, PMID: 8595701, PMID: 3276417, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8595701, PMID: 8361996

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 1788988, PMID: 8361996, PMID: 8595701, PMID: 3276417, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 1788988, PMID: 8361996, PMID: 8595701, PMID: 3276417, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8595701, PMID: 8361996

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 1788988, PMID: 8361996, PMID: 8595701, PMID: 3276417, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8595701, PMID: 8361996

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 2568911, PMID: 10503812

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 10751037, PMID: 14695265, PMID: 9639576

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49, PMID: 21710988.

+ + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 17470524

+ + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 21710988, PMID: 14531725

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 10751037, PMID: 15616150

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 17470524

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 17470524

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 17470524

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49, PMID: 21942630.

+ + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 17470524

+ + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 11038166, PMID: 14531725, PMID: 11950779

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 17470524

+ + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 21710988, PMID: 14531725

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 15616150

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9515184, Graham, G. ; K. Williams (2004). Metabolism ; Pharmacokinetics of Ibuprofen. Aspirin ; Related Drugs, CRC Press.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9515184, Graham, G. ; K. Williams (2004). Metabolism ; Pharmacokinetics of Ibuprofen. Aspirin ; Related Drugs, CRC Press.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9515184.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9515184, Graham, G. ; K. Williams (2004). Metabolism ; Pharmacokinetics of Ibuprofen. Aspirin ; Related Drugs, CRC Press.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: Sarkar, A., Tiwari, A., Bhasin, P. S., Mitra, M. (2011). Pharmacological ; Pharmaceutical Profile of Gliclazide: A Review. Journal of Applied Pharmaceutical Science 1(9): 11-19, Zayed, M., F. Nour El-Dien, et al. (2010). Mass spectra of gliclazide drug at various ion sources temperature: Its thermal behavior ; molecular orbital calculations. Journal of Thermal Analysis ; Calorimetry 102(1): 305-312, PMID: 1794262

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 18204476, PMID: 1794262, PMID: 17517049, PMID: 8825191, PMID: 3984386

+ + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 8825191.

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 10976657, PMID: 12433802, PMID: 9172950, PMID: 10976657, PMID: 20739906, PMID: 9804052, PMID: 11129127

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 10976657

+ + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 10976657, PMID: 12433802, PMID: 9172950, PMID: 10976657, PMID: 20739906, PMID: 9804052, PMID: 11129127

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 10976657

+ + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 20103563, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter. New York, Springer New York: 27-49.

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9172950, PMID: 11950779, PMID: 15801541

+ + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 12433802, PMID: 9172950, PMID: 10976657, PMID: 20739906, PMID: 9804052, PMID: 11129127

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

Confidence Level: 0

+

AUTHORS: PMID: 9172950, PMID: 11950779, PMID: 15801541

+ + + + + + + + + + + + + + + + + + + + + + + + + + + + +

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inchis: "" + - !!omap + - id: "m00022m" + - name: "(13Z,16Z)-docosadienoylcarnitine" + - compartment: "m" + - formula: "C29H52NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00022r" + - name: "(13Z,16Z)-docosadienoylcarnitine" + - compartment: "r" + - formula: "C29H52NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00023c" + - name: "(13Z,16Z)-docosadienoyl-CoA" + - compartment: "c" + - formula: "C43H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00023m" + - name: "(13Z,16Z)-docosadienoyl-CoA" + - compartment: "m" + - formula: "C43H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00023r" + - name: "(13Z,16Z)-docosadienoyl-CoA" + - compartment: "r" + - formula: "C43H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00024c" + - name: "(15Z)-tetracosenoylcarnitine" + - compartment: "c" + - formula: "C31H59NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00024r" + - name: "(15Z)-tetracosenoylcarnitine" + - compartment: "r" + - formula: "C31H59NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00025c" + - name: "(15Z)-tetracosenoyl-CoA" + - compartment: "c" + - formula: "C45H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00025p" + - name: "(15Z)-tetracosenoyl-CoA" + - compartment: "p" + - formula: "C45H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00025r" + - name: "(15Z)-tetracosenoyl-CoA" + - compartment: "r" + - formula: "C45H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00026m" + - name: "(18E)-20-oxo-20-CoA-LTB4" + - compartment: "m" + - formula: "C41H57N7O21P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00026p" + - name: "(18E)-20-oxo-20-CoA-LTB4" + - compartment: "p" + - formula: "C41H57N7O21P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00027p" + - name: "(18E)-20-oxo-20-CoA-LTE4" + - compartment: "p" + - formula: "C44H62N8O22P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00028c" + - name: "(18R)-HEPE" + - compartment: "c" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00029c" + - name: "(18R)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoic acid" + - compartment: "c" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00030c" + - name: "(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol" + - compartment: "c" + - formula: "C20H18O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00031c" + - name: "(1R)-hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene" + - compartment: "c" + - formula: "C20H23N3O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00032c" + - name: "(1R,2S)-naphthalene 1,2-oxide" + - compartment: "c" + - formula: "C10H8O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00032s" + - name: "(1R,2S)-naphthalene 1,2-oxide" + - compartment: "s" + - formula: "C10H8O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00033c" + - name: "(1S)-hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene" + - compartment: "c" + - formula: "C20H23N3O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00034c" + - name: "(1S,2R)-naphthalene 1,2-oxide" + - compartment: "c" + - formula: "C10H8O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00035c" + - name: "(24R)-24,25-dihydroxycalciol" + - compartment: "c" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00035m" + - name: "(24R)-24,25-dihydroxycalciol" + - compartment: "m" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00035s" + - name: "(24R)-24,25-dihydroxycalciol" + - compartment: "s" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00036m" + - name: "(24R,25R)3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl-CoA" + - compartment: "m" + - formula: "C48H76N7O21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00036p" + - name: "(24R,25R)3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl-CoA" + - compartment: "p" + - formula: "C48H76N7O21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00037p" + - name: "(24R,25R)3alpha,7alpha,24-trihydroxy-5beta-cholestanoyl-CoA" + - compartment: "p" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00038c" + - name: "(2E)-decenoyl-[ACP]" + - compartment: "c" + - formula: "C21H37N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00039m" + - name: "(2E)-decenoyl-CoA" + - compartment: "m" + - formula: "C31H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00039p" + - name: "(2E)-decenoyl-CoA" + - compartment: "p" + - formula: "C31H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00040c" + - name: "(2E)-docosenoyl-CoA" + - compartment: "c" + - formula: "C43H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00040m" + - name: "(2E)-docosenoyl-CoA" + - compartment: "m" + - formula: "C43H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00040p" + - name: "(2E)-docosenoyl-CoA" + - compartment: "p" + - formula: "C43H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00041c" + - name: "(2E)-dodecenoyl-[ACP]" + - compartment: "c" + - formula: "C23H41N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00042m" + - name: "(2E)-dodecenoyl-CoA" + - compartment: "m" + - formula: "C33H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00042p" + - name: "(2E)-dodecenoyl-CoA" + - compartment: "p" + - formula: "C33H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00043c" + - name: "(2E)-eicosenoyl-CoA" + - compartment: "c" + - formula: "C41H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00043m" + - name: "(2E)-eicosenoyl-CoA" + - compartment: "m" + - formula: "C41H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00043p" + - name: "(2E)-eicosenoyl-CoA" + - compartment: "p" + - formula: "C41H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00044c" + - name: "(2E)-heneicosenoyl-CoA" + - compartment: "c" + - formula: "C42H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00044m" + - name: "(2E)-heneicosenoyl-CoA" + - compartment: "m" + - formula: "C42H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00045c" + - name: "(2E)-heptadecenoyl-[ACP]" + - compartment: "c" + - formula: "C28H51N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00046m" + - name: "(2E)-heptadecenoyl-CoA" + - compartment: "m" + - formula: "C38H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00047c" + - name: "(2E)-heptenoyl-[ACP]" + - compartment: "c" + - formula: "C18H31N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00048m" + - name: "(2E)-heptenoyl-CoA" + - compartment: "m" + - formula: "C28H42N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00049c" + - name: "(2E)-hexacosenoyl-CoA" + - compartment: "c" + - formula: "C47H80N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00049p" + - name: "(2E)-hexacosenoyl-CoA" + - compartment: "p" + - formula: "C47H80N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00050c" + - name: "(2E)-hexadecenoyl-[ACP]" + - compartment: "c" + - formula: "C27H49N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00051m" + - name: "(2E)-hexadecenoyl-CoA" + - compartment: "m" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00051p" + - name: "(2E)-hexadecenoyl-CoA" + - compartment: "p" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00052c" + - name: "(2E)-hexenoyl-[ACP]" + - compartment: "c" + - formula: "C17H29N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00053m" + - name: "(2E)-hexenoyl-CoA" + - compartment: "m" + - formula: "C27H40N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00053p" + - name: "(2E)-hexenoyl-CoA" + - compartment: "p" + - formula: "C27H40N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00054c" + - name: "(2E)-nonadecenoyl-CoA" + - compartment: "c" + - formula: "C40H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00054m" + - name: "(2E)-nonadecenoyl-CoA" + - compartment: "m" + - formula: "C40H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00055c" + - name: "(2E)-nonenoyl-[ACP]" + - compartment: "c" + - formula: "C20H35N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00056m" + - name: "(2E)-nonenoyl-CoA" + - compartment: "m" + - formula: "C30H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00057c" + - name: "(2E)-octadecenoyl-CoA" + - compartment: "c" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00057m" + - name: "(2E)-octadecenoyl-CoA" + - compartment: "m" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00057p" + - name: "(2E)-octadecenoyl-CoA" + - compartment: "p" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00058c" + - name: "(2E)-octenoyl-[ACP]" + - compartment: "c" + - formula: "C19H33N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00059m" + - name: "(2E)-octenoyl-CoA" + - compartment: "m" + - formula: "C29H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00059p" + - name: "(2E)-octenoyl-CoA" + - compartment: "p" + - formula: "C29H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00060c" + - name: "(2E)-pentadecenoyl-[ACP]" + - compartment: "c" + - formula: "C26H47N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00061m" + - name: "(2E)-pentadecenoyl-CoA" + - compartment: "m" + - formula: "C36H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00062c" + - name: "(2E)-pentenoyl-[ACP]" + - compartment: "c" + - formula: "C16H27N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00063m" + - name: "(2E)-pentenoyl-CoA" + - compartment: "m" + - formula: "C26H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00064c" + - name: "(2E)-tetracosenoyl-CoA" + - compartment: "c" + - formula: "C45H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00064p" + - name: "(2E)-tetracosenoyl-CoA" + - compartment: "p" + - formula: "C45H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00065c" + - name: "(2E)-tetradecenoyl-[ACP]" + - compartment: "c" + - formula: "C25H45N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00066m" + - name: "(2E)-tetradecenoyl-CoA" + - compartment: "m" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00066p" + - name: "(2E)-tetradecenoyl-CoA" + - compartment: "p" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00067c" + - name: "(2E)-tricosenoyl-CoA" + - compartment: "c" + - formula: "C44H74N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00068c" + - name: "(2E)-tridecenoyl-[ACP]" + - compartment: "c" + - formula: "C24H43N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00069m" + - name: "(2E)-tridecenoyl-CoA" + - compartment: "m" + - formula: "C34H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00070c" + - name: "(2E)-undecenoyl-[ACP]" + - compartment: "c" + - formula: "C22H39N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00071m" + - name: "(2E)-undecenoyl-CoA" + - compartment: "m" + - formula: "C32H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00072m" + - name: "(2E,4Z,7Z,10Z)-hexadecatetraenoyl-CoA" + - compartment: "m" + - formula: "C37H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00072p" + - name: "(2E,4Z,7Z,10Z)-hexadecatetraenoyl-CoA" + - compartment: "p" + - formula: "C37H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00073m" + - name: "(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA" + - compartment: "m" + - formula: "C39H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00073p" + - name: "(2E,6Z,9Z,12Z)-octadecatetraenoyl-CoA" + - compartment: "p" + - formula: "C39H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00074c" + - name: "(2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA" + - compartment: "c" + - formula: "C43H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00075p" + - name: "(2R)-pristanoyl-CoA" + - compartment: "p" + - formula: "C40H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00076p" + - name: "(2R,6R,10R)-trimethyl-hendecanoyl-CoA" + - compartment: "p" + - formula: "C35H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00077p" + - name: "(2R,6S,10S)-pristanate" + - compartment: "p" + - formula: "C19H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00078p" + - name: "(2S)-pristanoyl-CoA" + - compartment: "p" + - formula: "C40H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00079p" + - name: "(2S,6R,10R)-trimethyl-(2E)-hendecenoyl-CoA" + - compartment: "p" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00080p" + - name: "(2S,6R,10R)-trimethyl-hendecanoyl-CoA" + - compartment: "p" + - formula: "C35H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00081m" + - name: "(3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA" + - compartment: "m" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00081p" + - name: "(3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA" + - compartment: "p" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00082m" + - name: "(3S)-3-hydroxydodec-cis-6-enoyl-CoA" + - compartment: "m" + - formula: "C33H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00082p" + - name: "(3S)-3-hydroxydodec-cis-6-enoyl-CoA" + - compartment: "p" + - formula: "C33H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00083m" + - name: "(3S)-3-hydroxylinoleoyl-CoA" + - compartment: "m" + - formula: "C39H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00083p" + - name: "(3S)-3-hydroxylinoleoyl-CoA" + - compartment: "p" + - formula: "C39H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00084m" + - name: "(3S)-citramalyl-CoA" + - compartment: "m" + - formula: "C26H37N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00085c" + - name: "(3S)-hydroxy-docasa-cis,cis-13,16-dienoyl-CoA" + - compartment: "c" + - formula: "C43H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00086c" + - name: "(3S)-hydroxy-eicosa-cis,cis,cis-11,14,17-trienoyl-CoA" + - compartment: "c" + - formula: "C41H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00087c" + - name: "(3S)-hydroxy-eicosa-cis,cis-11,14-dienoyl-CoA" + - compartment: "c" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00088m" + - name: "(3Z)-dodecenoyl-CoA" + - compartment: "m" + - formula: "C33H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00088p" 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"" + - !!omap + - id: "m00163m" + - name: "(R)-4-phosphopantothenoyl-cysteine" + - compartment: "m" + - formula: "C12H20N2O9PS" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00164c" + - name: "(R)-5-diphosphomevalonate" + - compartment: "c" + - formula: "C6H10O10P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00165c" + - name: "(R)-5-phosphomevalonate" + - compartment: "c" + - formula: "C6H10O7P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00166m" + - name: "(R)-methylmalonyl-CoA" + - compartment: "m" + - formula: "C25H35N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00167c" + - name: "(R)-mevalonate" + - compartment: "c" + - formula: "C6H11O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00167p" + - name: "(R)-mevalonate" + - compartment: "p" + - formula: "C6H11O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00168c" + - name: "(R)-S-lactoylglutathione" + - compartment: "c" + - formula: "C13H20N3O8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00168m" + - name: "(R)-S-lactoylglutathione" + - compartment: "m" + - formula: "C13H20N3O8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00169c" + - name: "(S)-2-aminobutanoate" + - compartment: "c" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00170m" + - name: "(S)-3-hydroxy-11-cis-octadecenoyl-CoA" + - compartment: "m" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00170p" + - name: "(S)-3-hydroxy-11-cis-octadecenoyl-CoA" + - compartment: "p" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00171m" + - name: "(S)-3-hydroxy-2-methylbutyryl-CoA" + - compartment: "m" + - formula: "C26H40N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00172m" + - name: "(S)-3-hydroxy-7-hexadecenoyl-CoA" + - compartment: "m" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00172p" + - name: "(S)-3-hydroxy-7-hexadecenoyl-CoA" + - compartment: "p" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00173m" + - name: "(S)-3-hydroxybutyryl-CoA" + - compartment: "m" + - formula: "C25H38N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00173p" + - name: "(S)-3-hydroxybutyryl-CoA" + - compartment: "p" + - formula: "C25H38N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00174m" + - name: "(S)-3-hydroxydodecanoyl-CoA" + - compartment: "m" + - formula: "C33H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00174p" + - name: "(S)-3-hydroxydodecanoyl-CoA" + - compartment: "p" + - formula: "C33H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00175m" + - name: "(S)-3-hydroxyhexadecanoyl-CoA" + - compartment: "m" + - formula: "C37H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00175p" + - name: "(S)-3-hydroxyhexadecanoyl-CoA" + - compartment: "p" + - formula: "C37H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00176m" + - name: "(S)-3-hydroxyoleyleoyl-CoA" + - compartment: "m" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00176p" + - name: "(S)-3-hydroxyoleyleoyl-CoA" + - compartment: "p" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00177m" + - name: "(S)-3-hydroxypalmitoleoyl-CoA" + - compartment: "m" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00177p" + - name: "(S)-3-hydroxypalmitoleoyl-CoA" + - compartment: "p" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00178m" + - name: "(S)-3-hydroxytetradecanoyl-CoA" + - compartment: "m" + - formula: "C35H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00178p" + - name: "(S)-3-hydroxytetradecanoyl-CoA" + - compartment: "p" + - formula: "C35H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00179c" + - name: "(S)-3-sulfolactate" + - compartment: "c" + - formula: "C3H4O6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00179m" + - name: "(S)-3-sulfolactate" + - compartment: "m" + - formula: "C3H4O6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00179s" + - name: "(S)-3-sulfolactate" + - compartment: "s" + - formula: "C3H4O6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00180c" + - name: "(S)-dihydroorotate" + - compartment: "c" + - formula: "C5H5N2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00181m" + - name: "(S)-hydroxydecanoyl-CoA" + - compartment: "m" + - formula: "C31H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00181p" + - name: "(S)-hydroxydecanoyl-CoA" + - compartment: "p" + - formula: "C31H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00182m" + - name: "(S)-hydroxyhexanoyl-CoA" + - compartment: "m" + - formula: "C27H42N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00182p" + - name: "(S)-hydroxyhexanoyl-CoA" + - compartment: "p" + - formula: "C27H42N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00183m" + - name: "(S)-hydroxyoctanoyl-CoA" + - compartment: "m" + - formula: "C29H46N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00183p" + - name: "(S)-hydroxyoctanoyl-CoA" + - compartment: "p" + - formula: "C29H46N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00184c" + - name: "[ACP]" + - compartment: "c" + - formula: "C11H21N2O7PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00185c" + - name: "[apocarboxlase]" + - compartment: "c" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00186c" + - name: "[apotransferin]" + - compartment: "c" + - formula: "C3389H5282N934O1021S50" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00186l" + - name: "[apotransferin]" + - compartment: "l" + - formula: "C3389H5282N934O1021S50" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00186s" + - name: "[apotransferin]" + - compartment: "s" + - formula: "C3389H5282N934O1021S50" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00187c" + - name: "[beta-adrenergic-receptor]" + - compartment: "c" + - formula: "C4H6N2O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00188c" + - name: "[methionine synthase]-cob(II)alamin" + - compartment: "c" + - formula: "C69H97CoN17O16PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00189c" + - name: "[methionine synthase]-methylcob(I)alamin" + - compartment: "c" + - formula: "C70H100CoN17O16PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00190c" + - name: "[myosin light chain]" + - compartment: "c" + - formula: "C4H6N2O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00191c" + - name: "[myosin light chain]-phosphate" + - compartment: "c" + - formula: "C4H6N2O6PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00192c" + - name: "[phosphorylase A]" + - compartment: "c" + - formula: "O12P4X2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00193c" + - name: "[phosphorylase B]" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00194c" + - name: "[protein C terminal]-S-farnesyl-L-cysteine" + - compartment: "c" + - formula: "C19H29NO3SR" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00195c" + - name: "[protein C terminal]-S-farnesyl-L-cysteine-methyl ester" + - compartment: "c" + - formula: "C20H32NO3SR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00196c" + - name: "[protein]" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00197c" + - name: "[protein]-L-arginine" + - compartment: "c" + - formula: "C7H14N5O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00198c" + - name: "[protein]-L-asparagine" + - compartment: "c" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00198l" + - name: "[protein]-L-asparagine" + - compartment: "l" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00198r" + - name: "[protein]-L-asparagine" + - compartment: "r" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00199c" + - name: "[protein]-L-citrulline" + - compartment: "c" + - formula: "C7H12N4O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00200c" + - name: "[protein]-L-cysteine" + - compartment: "c" + - formula: "C4H6N2O2SR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00201c" + - name: "[protein]-L-glutamine" + - compartment: "c" + - formula: "C6H9N3O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00202c" + - name: "[protein]-L-isoaspartate" + - compartment: "c" + - formula: "C5H6N2O4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00203c" + - name: "[protein]-L-isoaspartate-methyl ester" + - compartment: "c" + - formula: "C6H8N2O4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00204c" + - name: "[protein]-L-lysine" + - compartment: "c" + - formula: "C7H14N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00204n" + - name: "[protein]-L-lysine" + - compartment: "n" + - formula: "C7H14N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00204s" + - name: "[protein]-L-lysine" + - compartment: "s" + - formula: "C7H14N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00205c" + - name: "[protein]-L-serine" + - compartment: "c" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00205g" + - name: "[protein]-L-serine" + - compartment: "g" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00205l" + - name: "[protein]-L-serine" + - compartment: "l" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00205r" + - name: "[protein]-L-serine" + - compartment: "r" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00206c" + - name: "[protein]-L-tyrosine" + - compartment: "c" + - formula: "C10H10N2O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00207c" + - name: "[protein]-N5-alkylglutamine" + - compartment: "c" + - formula: "C6H8N3O3R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00208c" + - name: "[protein]-N6-(dihydrolipoyl)lysine" + - compartment: "c" + - formula: "C1375H2187N381O420S6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00209c" + - name: "[protein]-N6-(lipoyl)lysine" + - compartment: "c" + - formula: "C1375H2185N381O420S6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00210c" + - name: "[protein]-N6-(octanoyl)lysine" + - compartment: "c" + - formula: "C1375H2187N381O420S4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00211c" + - name: "[protein]-N6,N6,N6-trimethyl-L-lysine" + - compartment: "c" + - formula: "C10H20N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00211n" + - name: "[protein]-N6,N6,N6-trimethyl-L-lysine" + - compartment: "n" + - formula: "C10H20N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00211r" + - name: "[protein]-N6,N6,N6-trimethyl-L-lysine" + - compartment: "r" + - formula: "C10H20N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00212c" + - name: "[protein]-N6,N6-dimethyl-L-lysine" + - compartment: "c" + - formula: "C9H18N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00212n" + - name: "[protein]-N6,N6-dimethyl-L-lysine" + - compartment: "n" + - formula: "C9H18N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00213c" + - name: "[protein]-N6-methyl-L-lysine" + - compartment: "c" + - formula: "C8H16N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00214c" + - name: "[protein]-N-ubiquityllysine" + - compartment: "c" + - formula: "C8H13N3O3R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00215c" + - name: "[protein]-omega-N-(ADP-D-ribosyl)-L-arginine" + - compartment: "c" + - formula: "C22H33N10O15P2R2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00216c" + - name: "[protein]-S-methyl-L-cysteine" + - compartment: "c" + - formula: "C5H8N2O2SR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00217c" + - name: "[protein]-tyrosine-O-sulfate" + - compartment: "c" + - formula: "C10H9N2O6R2S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00218c" + - name: "[protein]-tyrosine-phosphate" + - compartment: "c" + - formula: "C10H9N2O6PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00219c" + - name: "[pyruvate dehydrogenase (acetyl transferring)]" + - compartment: "c" + - formula: "C4H6N2O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00220c" + - name: "[pyruvate dehydrogenase (acetyl transferring)]-phosphate" + - compartment: "c" + - formula: "C4H5N2O6PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00221c" + - name: "1-(1,2,3,4,5-pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate" + - compartment: "c" + - formula: "C17H22N2O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00223c" + - name: "1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine" + - compartment: "c" + - formula: "C7H15NO6PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00225c" + - name: "1-(3-pyridinyl)-1,4-butanediol" + - compartment: "c" + - formula: "C9H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00226c" + - name: "1-(methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol" + - compartment: "c" + - formula: "C10H15N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00227c" + - name: "1,1-dichloroethylene epoxide" + - compartment: "c" + - formula: "C2H2Cl2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00228c" + - name: "1,1-dichloroethylene" + - compartment: "c" + - formula: "C2H2Cl2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00228s" + - name: "1,1-dichloroethylene" + - compartment: "s" + - formula: "C2H2Cl2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00230c" + - name: "1,2,3,4-tetrahydro-beta-carboline" + - compartment: "c" + - formula: "C11H13N2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00231c" + - name: "1,2-dehydrosalsolinol" + - compartment: "c" + - formula: "C10H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00232c" + - name: "1,2-D-glucosyl-5-D-(galactosyloxy)-L-lysine-procollagen" + - compartment: "c" + - formula: "C19H34N3O13R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00233c" + - name: "1,2-diacylglycerol-bile-PC pool" + - compartment: "c" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00234s" + - name: "1,2-diacylglycerol-chylomicron pool" + - compartment: "s" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00235c" + - name: "1,2-diacylglycerol-LD-PC pool" + - compartment: "c" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00236c" + - name: "1,2-diacylglycerol-LD-PE pool" + - compartment: "c" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00236r" + - name: "1,2-diacylglycerol-LD-PE pool" + - compartment: "r" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00237c" + - name: "1,2-diacylglycerol-LD-PI pool" + - compartment: "c" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00238c" + - name: "1,2-diacylglycerol-LD-PS pool" + - compartment: "c" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00239c" + - name: "1,2-diacylglycerol-LD-SM pool" + - compartment: "c" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00240c" + - name: "1,2-diacylglycerol-LD-TAG pool" + - compartment: "c" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00240g" + - name: "1,2-diacylglycerol-LD-TAG pool" + - compartment: "g" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00240n" + - name: "1,2-diacylglycerol-LD-TAG pool" + - compartment: "n" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00241s" + - name: "1,2-diacylglycerol-VLDL pool" + - compartment: "s" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00242c" + - name: "1,2-dibromoethane" + - compartment: "c" + - formula: "C2H4Br2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00242s" + - name: "1,2-dibromoethane" + - compartment: "s" + - formula: "C2H4Br2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00243c" + - name: "1,2-dihydronaphthalene-1,2-diol" + - compartment: "c" + - formula: "C10H10O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00244c" + - name: "1,2-dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene" + - compartment: "c" + - formula: "C10H10O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00245c" + - name: "1,2-dihydroxy-5-(methylthio)pent-1-en-3-one" + - compartment: "c" + - formula: "C6H10O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00246c" + - name: "1,2-naphthoquinone" + - compartment: "c" + - formula: "C10H6O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00247c" + - name: "1,3-bisphospho-D-glycerate" + - compartment: "c" + - formula: "C3H4O10P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00248c" + - name: "1,3-diaminopropane" + - compartment: "c" + - formula: "C3H12N2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m00249c" + - name: "1,4-benzothiazine-O-quinonimine" + - compartment: "c" + - formula: "C12H11N2O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00250c" + - name: "1,4-dihydroxynaphthalene" + - compartment: "c" + - formula: "C10H8O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00251c" + - name: "1,4-naphthoquinone" + - compartment: "c" + - formula: "C10H6O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00252c" + - name: "10,11-dihydro-12-epi-LTB4" + - compartment: "c" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00252m" + - name: "10,11-dihydro-12-epi-LTB4" + - compartment: "m" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00252p" + - name: "10,11-dihydro-12-epi-LTB4" + - compartment: "p" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00253c" + - name: "10,11-dihydro-12-oxo-LTB4" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00253m" + - name: "10,11-dihydro-12-oxo-LTB4" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00253p" + - name: "10,11-dihydro-12-oxo-LTB4" + - compartment: "p" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00254c" + - name: "10,11-dihydro-12R-hydroxy-LTC4" + - compartment: "c" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00254m" + - name: "10,11-dihydro-12R-hydroxy-LTC4" + - compartment: "m" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00254p" + - name: "10,11-dihydro-12R-hydroxy-LTC4" + - compartment: "p" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00256c" + - name: "10,11-dihydro-20-trihydroxy-LTB4" + - compartment: "c" + - formula: "C20H33O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00256r" + - name: "10,11-dihydro-20-trihydroxy-LTB4" + - compartment: "r" + - formula: "C20H33O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00257c" + - name: 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compartment: "m" + - formula: "C29H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00263r" + - name: "10,13,16-docosatrienoylcarnitine" + - compartment: "r" + - formula: "C29H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00264c" + - name: "10,13,16-docosatrienoyl-CoA" + - compartment: "c" + - formula: "C43H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00264m" + - name: "10,13,16-docosatrienoyl-CoA" + - compartment: "m" + - formula: "C43H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00264r" + - name: "10,13,16-docosatrienoyl-CoA" + - compartment: "r" + - formula: "C43H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00265c" + - name: "10,13,16-docosatriynoic acid" + - compartment: "c" + - formula: "C22H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00265l" + - name: "10,13,16-docosatriynoic acid" + - compartment: "l" + - formula: "C22H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00265r" + - name: "10,13,16-docosatriynoic acid" + - compartment: "r" + - formula: "C22H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00265s" + - name: "10,13,16-docosatriynoic acid" + - compartment: "s" + - formula: "C22H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00266c" + - name: "10-formyl-THF" + - compartment: "c" + - formula: "C20H21N7O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00266l" + - name: "10-formyl-THF" + - compartment: "l" + - formula: "C20H21N7O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00266m" + - name: "10-formyl-THF" + - compartment: "m" + - formula: "C20H21N7O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00266s" + - name: "10-formyl-THF" + - compartment: "s" + - formula: "C20H21N7O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00267c" + - name: "10-formyl-THF-glu(5)" + - compartment: "c" + - formula: "C40H45N11O19" + - charge: -6 + - inchis: "" + - !!omap + - id: "m00267l" + - name: "10-formyl-THF-glu(5)" + - compartment: "l" + - formula: "C40H45N11O19" + - charge: -6 + - inchis: "" + - !!omap + - id: "m00267m" + - name: "10-formyl-THF-glu(5)" + - compartment: "m" + - formula: "C40H45N11O19" + - charge: -6 + - inchis: "" + - !!omap + - id: "m00267s" + - name: "10-formyl-THF-glu(5)" + - compartment: "s" + - formula: "C40H45N11O19" + - charge: -6 + - inchis: "" + - !!omap + - id: "m00268c" + - name: "10-formyl-THF-glu(6)" + - compartment: "c" + - formula: "C45H51N12O22" + - charge: -7 + - inchis: "" + - !!omap + - id: "m00268l" + - name: "10-formyl-THF-glu(6)" + - compartment: "l" + - formula: "C45H51N12O22" + - charge: -7 + - inchis: "" + - !!omap + - id: "m00268m" + - name: "10-formyl-THF-glu(6)" + - compartment: "m" + - formula: "C45H51N12O22" + - charge: -7 + - inchis: "" + - !!omap + - id: "m00268s" + - name: "10-formyl-THF-glu(6)" + - compartment: "s" + - formula: "C45H51N12O22" + - charge: -7 + - inchis: "" + - !!omap + - id: "m00269c" + - name: "10-formyl-THF-glu(7)" + - compartment: "c" + - 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compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00279c" + - name: "11,12-EET" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00280c" + - name: "11,14,15-THETA" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00281c" + - name: "11,15-cyclo-12,14-cycloperoxy-8-hydroperoxy-(5Z,9E)-eicosadienoate" + - compartment: "c" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00282c" + - name: "11,15-cyclo-8,12,14-trihydroxy-(5Z,9E)-eicosadienoic acid" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00283c" + - name: "11beta,17alpha,21-trihydroxypregnenolone" + - compartment: "c" + - formula: "C21H32O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00284c" + - name: "11beta-hydroxyandrost-4-ene-3,17-dione" + - compartment: "c" + - formula: "C19H26O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00284m" + - name: "11beta-hydroxyandrost-4-ene-3,17-dione" + - compartment: "m" + - formula: "C19H26O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00284r" + - name: "11beta-hydroxyandrost-4-ene-3,17-dione" + - compartment: "r" + - formula: "C19H26O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00286m" + - name: "11-carboxy-alpha-chromanol" + - compartment: "m" + - formula: "C26H41O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00287m" + - name: "11-carboxy-alpha-tocotrienol" + - compartment: "m" + - formula: "C26H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00288m" + - name: "11-carboxy-gamma-chromanol" + - compartment: "m" + - formula: "C25H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00289m" + - name: "11-carboxy-gamma-tocotrienol" + - compartment: "m" + - formula: "C25H35O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00290c" + - name: "11-cis-retinal" + - compartment: "c" + - formula: "C20H28O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00291c" + - name: "11-cis-retinol" + - compartment: "c" + - formula: "C20H30O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00292c" + - name: "11-cis-retinyl-palmitate" + - compartment: "c" + - formula: "C36H60O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00293c" + - name: "11-dehydro-thromboxane B2" + - compartment: "c" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00294c" + - name: "11-deoxycorticosterone" + - compartment: "c" + - formula: "C21H30O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00294m" + - name: "11-deoxycorticosterone" + - compartment: "m" + - formula: "C21H30O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00294r" + - name: "11-deoxycorticosterone" + - compartment: "r" + - formula: "C21H30O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00295c" + - name: "11-deoxycortisol" + - compartment: "c" + - formula: "C21H30O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00295m" + - name: "11-deoxycortisol" + - compartment: "m" + - formula: "C21H30O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00295r" + - name: "11-deoxycortisol" + - compartment: "r" + - formula: "C21H30O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00296c" + - name: "11h-14,15-EETA" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00297c" + - name: "11-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00298c" + - name: "11-HpODE" + - compartment: "c" + - formula: "C18H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00299c" + - name: "11-hydroperoxy-H4-neuroprostane" + - compartment: "c" + - formula: "C22H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00300c" + - name: "11-hydroxy-D4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00301c" + - name: "11-hydroxy-E4-neuroprostane" + - compartment: "c" + - 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"12,13-epoxy-9-hydroperoxy-(10E)-octadecenoate" + - compartment: "c" + - formula: "C18H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00313c" + - name: "12,13-epoxylinoleic acid-radical" + - compartment: "c" + - formula: "C18H30O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00314c" + - name: "12,13-hydroxyoctadec-9(z)-enoate" + - compartment: "c" + - formula: "C18H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00314r" + - name: "12,13-hydroxyoctadec-9(z)-enoate" + - compartment: "r" + - formula: "C18H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00315c" + - name: "12,15,18,21-tetracosatetraenoic acid" + - compartment: "c" + - formula: "C24H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00315l" + - name: "12,15,18,21-tetracosatetraenoic acid" + - compartment: "l" + - formula: "C24H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00315r" + - name: "12,15,18,21-tetracosatetraenoic acid" + - compartment: "r" + - formula: "C24H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00315s" + - name: "12,15,18,21-tetracosatetraenoic acid" + - compartment: "s" + - formula: "C24H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00316c" + - name: "12,15,18,21-tetracosatetraenoylcarnitine" + - compartment: "c" + - formula: "C31H53NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00316r" + - name: "12,15,18,21-tetracosatetraenoylcarnitine" + - compartment: "r" + - formula: "C31H53NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00317c" + - name: "12,15,18,21-tetracosatetraenoyl-CoA" + - compartment: "c" + - formula: "C45H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00317p" + - name: "12,15,18,21-tetracosatetraenoyl-CoA" + - compartment: "p" + - formula: "C45H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00317r" + - name: "12,15,18,21-tetracosatetraenoyl-CoA" + - compartment: "r" + - formula: "C45H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00318c" + - name: "12,20-diHETE" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00318r" + - name: "12,20-diHETE" + - compartment: "r" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00319c" + - name: "12,20-dioxo-LTB4" + - compartment: "c" + - formula: "C20H27O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00320c" + - name: "12-epi-LTB4" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00321c" + - name: "12-hetre" + - compartment: "c" + - formula: "C20H33O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00322c" + - name: "12-hydroperoxyeicosatetraenoate-glyceryl-ester" + - compartment: "c" + - formula: "C23H38O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00323c" + - name: "12-hydroxy-13-O-D-glucuronoside-octadec-(9Z)-enoate" + - compartment: "c" + - formula: "C24H40O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00323r" + - name: "12-hydroxy-13-O-D-glucuronoside-octadec-(9Z)-enoate" + - compartment: "r" + - formula: "C24H40O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00324r" + - name: "12-hydroxy-arachidonate" + - compartment: "r" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00325c" + - name: "12-hydroxydodecanoic acid" + - compartment: "c" + - formula: "C12H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00325s" + - name: "12-hydroxydodecanoic acid" + - compartment: "s" + - formula: "C12H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00326c" + - name: "12-keto-LTB4" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00326m" + - name: "12-keto-LTB4" + - compartment: "m" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00326p" + - name: "12-keto-LTB4" + - compartment: "p" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00326r" + - name: "12-keto-LTB4" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00327c" + - name: "12-O-D-glucuronoside-13-hydroxyoctadec-(9Z)-enoate" + - compartment: "c" + - formula: "C24H40O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00327r" + - name: "12-O-D-glucuronoside-13-hydroxyoctadec-(9Z)-enoate" + - compartment: "r" + - formula: "C24H40O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00328c" + - name: "12-oxo-10,11-dihydro-20-COOH-LTB4" + - compartment: "c" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00328r" + - name: "12-oxo-10,11-dihydro-20-COOH-LTB4" + - compartment: "r" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00329c" + - name: "12-oxo-20-carboxy-LTB4" + - compartment: "c" + - formula: "C20H26O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00329r" + - name: "12-oxo-20-carboxy-LTB4" + - compartment: "r" + - formula: "C20H26O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00330c" + - name: "12-oxo-20-dihydroxy-LTB4" + - compartment: "c" + - formula: "C20H29O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00332c" + - name: "12-oxo-20-trihydroxy-LTB4" + - compartment: "c" + - formula: "C20H29O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00332r" + - name: "12-oxo-20-trihydroxy-LTB4" + - compartment: "r" + - formula: "C20H29O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00333c" + - name: "12-oxo-c-LTB3" + - compartment: "c" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00333m" + - name: "12-oxo-c-LTB3" + - compartment: "m" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00333p" + - name: "12-oxo-c-LTB3" + - compartment: "p" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00333r" + - name: "12-oxo-c-LTB3" + - compartment: "r" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00334c" + - name: "12-oxoETE" + - compartment: "c" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00335c" + - name: "12-peroxy-(5Z,8Z,10E,14Z)-eicosatetraenoate" + - compartment: "c" + - formula: "C20H30O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00336c" + - name: "13(S)-HODE" + - compartment: "c" + - formula: "C18H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00337c" + - name: "13(S)-HPODE" + - compartment: "c" + - formula: "C18H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00338c" + - name: "13,14-dihydro-15-keto-PGD2" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00339c" + - name: "13,14-dihydro-15-oxo-lipoxin A4" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00340c" + - name: "13,14-dihydro-lipoxin A4" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00341c" + - name: "13,16,19-docosatrienoic acid" + - compartment: "c" + - formula: "C22H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00341l" + - name: "13,16,19-docosatrienoic acid" + - compartment: "l" + - formula: "C22H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00341r" + - name: "13,16,19-docosatrienoic acid" + - compartment: "r" + - formula: "C22H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00341s" + - name: "13,16,19-docosatrienoic acid" + - compartment: "s" + - formula: "C22H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00342c" + - name: "13,16,19-docosatrienoylcarnitine" + - compartment: "c" + - formula: "C29H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00342m" + - name: "13,16,19-docosatrienoylcarnitine" + - compartment: "m" + - formula: "C29H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00342r" + - name: "13,16,19-docosatrienoylcarnitine" + - compartment: "r" + - formula: "C29H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00343c" + - name: "13,16,19-docosatrienoyl-CoA" + - compartment: "c" + - formula: "C43H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00343m" + - name: "13,16,19-docosatrienoyl-CoA" + - compartment: "m" + - formula: "C43H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00343r" + - name: "13,16,19-docosatrienoyl-CoA" + - compartment: "r" + - formula: "C43H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00344c" + - name: "13-carboxy-alpha-tocopherol" + - compartment: "c" + - formula: "C29H47O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00344m" + - name: "13-carboxy-alpha-tocopherol" + - compartment: "m" + - formula: "C29H47O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00344r" + - name: "13-carboxy-alpha-tocopherol" + - compartment: "r" + - formula: "C29H47O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00345c" + - name: "13-carboxy-alpha-tocotrienol" + - compartment: "c" + - formula: "C29H41O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00345m" + - name: "13-carboxy-alpha-tocotrienol" + - compartment: "m" + - formula: "C29H41O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00345r" + - name: "13-carboxy-alpha-tocotrienol" + - compartment: "r" + - formula: "C29H41O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00346c" + - name: "13-carboxy-gamma-tocopherol" + - compartment: "c" + - formula: "C28H45O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00346m" + - name: "13-carboxy-gamma-tocopherol" + - compartment: "m" + - formula: "C28H45O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00346r" + - name: "13-carboxy-gamma-tocopherol" + - compartment: "r" + - formula: "C28H45O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00347c" + - name: "13-carboxy-gamma-tocotrienol" + - compartment: "c" + - formula: "C28H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00347m" + - name: "13-carboxy-gamma-tocotrienol" + - compartment: "m" + - formula: "C28H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00347r" + - name: "13-carboxy-gamma-tocotrienol" + - compartment: "r" + - formula: "C28H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00348c" + - name: "13-cis-oxo-retinoate" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00349c" + - name: "13-cis-retinal" + - compartment: "c" + - formula: "C20H28O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00349r" + - name: "13-cis-retinal" + - compartment: "r" + - formula: "C20H28O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00350c" + - name: "13-cis-retinoate" + - compartment: "c" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00350r" + - name: "13-cis-retinoate" + - compartment: "r" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00352r" + - name: "13-cis-retinoyl-beta-D-glucuronide" + - compartment: "r" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00353c" + - name: "13-cis-retinoyl-glucuronide" + - compartment: "c" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00353r" + - name: "13-cis-retinoyl-glucuronide" + - compartment: "r" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00353s" + - name: "13-cis-retinoyl-glucuronide" + - compartment: "s" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00354c" + - name: "13-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00355c" + - name: "13-hydroperoxy-H4-neuroprostane" + - compartment: "c" + - formula: "C22H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00358c" + - name: "13-hydroxy-D4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00359c" + - name: "13-hydroxy-E4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00362c" + - name: "13-oxo-(9Z,11E)-tridecadienoate" + - compartment: "c" + - formula: "C13H19O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00363c" + - name: "13-oxy-radical-octadecadienoate" + - compartment: "c" + - formula: "C18H30O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00364c" + - name: "14,15-DHET" + - compartment: "c" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00365c" + - name: "14,15-DiHETE" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00366c" + - name: "14,15-EET" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00366r" + - name: "14,15-EET" + - compartment: "r" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00367c" + - name: "14-demethyllanosterol" + - compartment: "c" + - formula: "C29H48O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00368c" + - name: "14-hydroperoxy-H4-neuroprostane" + - compartment: "c" + - formula: "C22H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00369c" + - name: "14-hydroxy-D4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00370c" + - name: "14-hydroxy-E4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00371c" + - name: "14-hydroxytetradecanoic acid" + - compartment: "c" + - formula: "C14H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00371s" + - name: "14-hydroxytetradecanoic acid" + - compartment: "s" + - formula: "C14H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00372c" + - name: "14-peroxy-docosahexaenoate" + - compartment: "c" + - formula: "C22H30O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00373c" + - name: "15(R)-HEPE" + - compartment: "c" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00373n" + - name: "15(R)-HEPE" + - compartment: "n" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00373p" + - name: "15(R)-HEPE" + - compartment: "p" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00373r" + - name: "15(R)-HEPE" + - compartment: "r" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00375c" + - name: "15(R)-HpEPE" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00375n" + - name: "15(R)-HpEPE" + - compartment: "n" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00375p" + - name: "15(R)-HpEPE" + - compartment: "p" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00375r" + - name: "15(R)-HpEPE" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00376c" + - name: "15(S)-HEPE" + - compartment: "c" + - formula: "C20H29O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00377c" + - name: "15(S)-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00378c" + - name: "15(S)-HETrE" + - compartment: "c" + - formula: "C20H33O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00379c" + - name: "15(S)-HpEPE" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00380c" + - name: "15(S)-HPETE" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00381c" + - name: "15-dehydro-prostaglandin D2" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00382c" + - name: "15-deoxy-delta-12,14-PGD2" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00383c" + - name: "15-deoxy-delta-12,14-PGJ2" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00384c" + - name: "15-deoxy-PGD2" + - compartment: "c" + - formula: "C20H29O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00385c" + - name: "15-deoxy-prostaglandin J2" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00386c" + - name: "15-epi-lipoxin A4" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00386p" + - name: "15-epi-lipoxin A4" + - compartment: "p" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00386r" + - name: "15-epi-lipoxin A4" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00387c" + - name: "15-epi-lipoxin A5" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00387p" + - name: "15-epi-lipoxin A5" + - compartment: "p" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00387r" + - name: "15-epi-lipoxin A5" + - compartment: "r" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00388c" + - name: "15-epi-lipoxin B4" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00388p" + - name: "15-epi-lipoxin B4" + - compartment: "p" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00388r" + - name: "15-epi-lipoxin B4" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00389c" + - name: "15-epi-lipoxin B5" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00389p" + - name: "15-epi-lipoxin B5" + - compartment: "p" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00389r" + - name: "15-epi-lipoxin B5" + - compartment: "r" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00390c" + - name: "15H-11,12-EETA" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00391c" + - name: "15-HpETrE" + - compartment: "c" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00392c" + - name: "15-keto-prostaglandin F2alpha" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00393c" + - name: "15-oxoETE" + - compartment: "c" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00394c" + - name: "15-oxo-lipoxin A4" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00395c" + - name: "15-oxo-prostaglandin E2-glyceryl ester" + - compartment: "c" + - formula: "C23H36O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00396c" + - name: "16(R)-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00397p" + - name: "16(S)-hydroxy-18-oxo-18-CoA-LTE4" + - compartment: "p" + - formula: "C42H62N8O23P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00398p" + - name: "16,18-oxo-18-CoA-dinor-LTE4" + - compartment: "p" + - formula: "C42H60N8O23P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00399r" + - name: "16alpha-hydroxydehydroepiandrosterone" + - compartment: "r" + - formula: "C19H28O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00400c" + - name: "16alpha-hydroxyestrone" + - compartment: "c" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00400r" + - name: "16alpha-hydroxyestrone" + - compartment: "r" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00401p" + - name: "16e-18-oxo-18-CoA-dinor-LTE4" + - compartment: "p" + - formula: "C42H60N8O22P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00402c" + - name: "16-glucuronide-estriol" + - compartment: "c" + - formula: "C24H32O9" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00402r" + - name: "16-glucuronide-estriol" + - compartment: "r" + - formula: "C24H32O9" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00402s" + - name: "16-glucuronide-estriol" + - compartment: "s" + - formula: "C24H32O9" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00403c" + - name: "16-hydroxyhexadecanoic acid" + - compartment: "c" + - formula: "C16H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00403s" + - name: "16-hydroxyhexadecanoic acid" + - compartment: "s" + - formula: "C16H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00404c" + - name: "16-peroxy-docosahexaenoate" + - compartment: "c" + - formula: "C22H30O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00406c" + - name: "17alpha,21-dihydroxypregnenolone" + - compartment: "c" + - formula: "C21H32O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00407c" + - name: "17alpha-hydroxypregnenolone sulfate" + - compartment: "c" + - formula: "C21H31O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00408c" + - name: "17alpha-hydroxypregnenolone" + - compartment: "c" + - formula: "C21H32O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00408r" + - name: "17alpha-hydroxypregnenolone" + - compartment: "r" + - formula: "C21H32O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00409c" + - name: "17alpha-hydroxyprogesterone" + - compartment: "c" + - formula: "C21H30O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00409r" + - name: "17alpha-hydroxyprogesterone" + - compartment: "r" + - formula: "C21H30O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00410c" + - name: "17beta-estradiol-2,3-quinone" + - compartment: "c" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00410m" + - name: "17beta-estradiol-2,3-quinone" + - compartment: "m" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00410p" + - name: "17beta-estradiol-2,3-quinone" + - compartment: "p" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00410r" + - name: "17beta-estradiol-2,3-quinone" + - compartment: "r" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00411c" + - name: "17beta-estradiol-2,3-semiquinone" + - compartment: "c" + - formula: "C18H23O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00411l" + - name: "17beta-estradiol-2,3-semiquinone" + - compartment: "l" + - formula: "C18H23O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00412c" + - name: "17beta-estradiol-3,4-quinone" + - compartment: "c" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00412m" + - name: "17beta-estradiol-3,4-quinone" + - compartment: "m" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00412p" + - name: "17beta-estradiol-3,4-quinone" + - compartment: "p" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00412r" + - name: "17beta-estradiol-3,4-quinone" + - compartment: "r" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00413c" + - name: "17beta-estradiol-3,4-semiquinone" + - compartment: "c" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00413l" + - name: "17beta-estradiol-3,4-semiquinone" + - compartment: "l" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00414c" + - name: "17-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00415c" + - name: "17-hydroperoxy-H4-neuroprostane" + - compartment: "c" + - formula: "C22H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00416c" + - name: "17-hydroxy-D4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00417c" + - name: "17-hydroxy-E4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00418c" + - name: "17-peroxy-docosahexaenoate" + - compartment: "c" + - formula: "C22H30O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00419p" + - name: "18(R)-hydroxy-20-oxo-20-CoA-LTE4" + - compartment: "p" + - formula: "C44H64N8O23P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00420m" + - name: "18,20-dioxo-20-CoA-LTB4" + - compartment: "m" + - formula: "C41H57N7O22P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00420p" + - name: "18,20-dioxo-20-CoA-LTB4" + - compartment: "p" + - formula: "C41H57N7O22P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00421m" + - name: "18-CoA-18-oxo-dinor-LTB4" + - compartment: "m" + - formula: "C39H55N7O21P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00421p" + - name: "18-CoA-18-oxo-dinor-LTB4" + - compartment: "p" + - formula: "C39H55N7O21P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00422p" + - name: "18-COOH-(15E)-dinor-LTE4-CoA" + - compartment: "p" + - formula: "C42H60N8O22P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00423p" + - name: "18-COOH-(16E)-dinor-LTE5-CoA" + - compartment: "p" + - formula: "C42H58N8O22P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00424m" + - name: "18-COOH-LTB4" + - compartment: "m" + - formula: "C18H24O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00425p" + - name: "18-COOH-LTE4" + - compartment: "p" + - formula: "C21H29NO7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00426c" + - name: "18-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00427c" + - name: "18-hydroxy-all-trans-retinoate" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00427r" + - name: "18-hydroxy-all-trans-retinoate" + - compartment: "r" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00428r" + - name: "18-hydroxy-arachidonate" + - compartment: "r" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00430c" + - name: "19(S)-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00431c" + - name: "19-hydroxyandrostenedione" + - compartment: "c" + - formula: "C19H26O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00432c" + - name: "19-hydroxytestosterone" + - compartment: "c" + - formula: "C19H28O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00432r" + - name: "19-hydroxytestosterone" + - compartment: "r" + - formula: "C19H28O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00432s" + - name: "19-hydroxytestosterone" + - compartment: "s" + - formula: "C19H28O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00433c" + - name: "19-oxoandrostenedione" + - compartment: "c" + - formula: "C19H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00434c" + - name: "19-oxo-testosterone" + - compartment: "c" + - formula: "C19H26O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00435c" + - name: "1a,11b-dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene" + - compartment: "c" + - formula: "C20H16O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00436c" + - name: "1-acylglycerol-3P-10,13,16,19-doco" + - compartment: "c" + - formula: "C25H41O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00437c" + - name: "1-acylglycerol-3P-10,13,16-docosa" + - compartment: "c" + - formula: "C25H43O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00438c" + - name: "1-acylglycerol-3P-10-heptade" + - compartment: "c" + - formula: "C20H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00439c" + - name: "1-acylglycerol-3P-11,14,17-eico" + - compartment: "c" + - formula: "C23H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00440c" + - name: "1-acylglycerol-3P-11,14-eicosa" + - compartment: "c" + - formula: "C23H41O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00441c" + - name: "1-acylglycerol-3P-11-docose" + - compartment: "c" + - formula: "C25H47O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00442c" + - name: "1-acylglycerol-3P-11-eico" + - compartment: "c" + - formula: "C23H43O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00443c" + - name: "1-acylglycerol-3P-12,15,18,21-tetra" + - compartment: "c" + - formula: "C27H45O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00444c" + - name: "1-acylglycerol-3P-13,16,19-doco" + - compartment: "c" + - formula: "C25H43O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00445c" + - name: "1-acylglycerol-3P-13,16-docosa" + - compartment: "c" + - formula: "C25H45O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00446c" + - name: "1-acylglycerol-3P-13-docose" + - compartment: "c" + - formula: "C25H47O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00447c" + - name: "1-acylglycerol-3P-13-eicose" + - compartment: "c" + - formula: "C23H43O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00448c" + - name: "1-acylglycerol-3P-13-octade" + - compartment: "c" + - formula: "C21H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00449c" + - name: "1-acylglycerol-3P-15-tetra" + - compartment: "c" + - formula: "C27H51O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00450c" + - name: "1-acylglycerol-3P-4,7,10,13,16,19-doco" + - compartment: "c" + - formula: "C25H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00451c" + - name: "1-acylglycerol-3P-4,7,10,13,16-docosa" + - compartment: "c" + - formula: "C25H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00452c" + - name: "1-acylglycerol-3P-5,8,11,14,17-eico" + - compartment: "c" + - formula: "C23H35O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00453c" + - name: "1-acylglycerol-3P-5,8,11-eico" + - compartment: "c" + - formula: "C23H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00454c" + - name: "1-acylglycerol-3P-5-tetrade" + - compartment: "c" + - formula: "C17H31O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00455c" + - name: "1-acylglycerol-3P-6,9,12,15,18,21-tetra" + - compartment: "c" + - formula: "C27H41O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00456c" + - name: "1-acylglycerol-3P-6,9,12,15,18-tetraco" + - compartment: "c" + - formula: "C27H43O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00457c" + - name: "1-acylglycerol-3P-6,9,12,15-octa" + - compartment: "c" + - formula: "C21H33O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00458c" + - name: "1-acylglycerol-3P-6,9-octa" + - compartment: "c" + - formula: "C21H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00459c" + - name: "1-acylglycerol-3P-7,10,13,16,19-docosa" + - compartment: "c" + - formula: "C25H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00460c" + - name: "1-acylglycerol-3P-7,10,13,16-docosa" + - compartment: "c" + - formula: "C25H41O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00461c" + - name: "1-acylglycerol-3P-7-hexade" + - compartment: "c" + - formula: "C19H35O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00462c" + - name: "1-acylglycerol-3P-7-octade" + - compartment: "c" + - formula: "C21H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00463c" + - name: "1-acylglycerol-3P-7-tetrade" + - compartment: "c" + - formula: "C17H31O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00464c" + - name: "1-acylglycerol-3P-8,11,14,17-eico" + - compartment: "c" + - formula: "C23H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00465c" + - name: "1-acylglycerol-3P-8,11-eico" + - compartment: "c" + - formula: "C23H41O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00466c" + - name: "1-acylglycerol-3P-9,12,15,18,21-tetra" + - compartment: "c" + - formula: "C27H43O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00467c" + - name: "1-acylglycerol-3P-9,12,15,18-tetraco" + - compartment: "c" + - formula: "C27H45O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00468c" + - name: "1-acylglycerol-3P-9-eicose" + - compartment: "c" + - formula: "C23H43O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00469c" + - name: "1-acylglycerol-3P-9-heptade" + - compartment: "c" + - formula: "C20H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00470c" + - name: "1-acylglycerol-3P-9-octade" + - compartment: "c" + - formula: "C21H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00471c" + - name: "1-acylglycerol-3P-9-tetrade" + - compartment: "c" + - formula: "C17H31O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00472c" + - name: "1-acylglycerol-3P-arach" + - compartment: "c" + - formula: "C23H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00473c" + - name: "1-acylglycerol-3P-bile-PC pool" + - compartment: "c" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00474c" + - name: "1-acylglycerol-3P-cis-vac" + - compartment: "c" + - formula: "C21H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00476c" + - name: "1-acylglycerol-3P-dihomo-gamma" + - compartment: "c" + - formula: "C23H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00477c" + - name: "1-acylglycerol-3P-docosa" + - compartment: "c" + - formula: "C25H49O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00478c" + - name: "1-acylglycerol-3P-eico" + - compartment: "c" + - formula: "C23H45O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00479c" + - name: "1-acylglycerol-3P-gamma-lin" + - compartment: "c" + - formula: "C21H35O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00480c" + - name: "1-acylglycerol-3P-heneico" + - compartment: "c" + - formula: "C24H47O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00481c" + - name: "1-acylglycerol-3P-heptade" + - compartment: "c" + - formula: "C20H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00482c" + - name: "1-acylglycerol-3P-hexacosa" + - compartment: "c" + - formula: "C29H57O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00483c" + - name: "1-acylglycerol-3P-hexecose" + - compartment: "c" + - formula: "C29H55O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00484c" + - name: "1-acylglycerol-3P-laur" + - compartment: "c" + - formula: "C15H29O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00485c" + - name: "1-acylglycerol-3P-LD-PC pool (liver tissue)" + - compartment: "c" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00486c" + - name: "1-acylglycerol-3P-LD-PE pool (liver tissue)" + - compartment: "c" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00487c" + - name: "1-acylglycerol-3P-LD-PI pool (liver tissue)" + - compartment: "c" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00488c" + - name: "1-acylglycerol-3P-LD-PS pool (liver tissue)" + - compartment: "c" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00489c" + - name: "1-acylglycerol-3P-LD-SM pool (liver tissue)" + - compartment: "c" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00490c" + - name: "1-acylglycerol-3P-LD-TG1 pool (liver tissue)" + - compartment: "c" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00491c" + - name: "1-acylglycerol-3P-lin" + - compartment: "c" + - formula: "C21H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00492c" + - name: "1-acylglycerol-3P-linolen" + - compartment: "c" + - formula: "C21H35O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00493c" + - name: "1-acylglycerol-3P-myrist" + - compartment: "c" + - formula: "C17H33O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00494c" + - name: "1-acylglycerol-3P-nanode" + - compartment: "c" + - formula: "C22H43O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00495c" + - name: "1-acylglycerol-3P-ol" + - compartment: "c" + - formula: "C21H39O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00496c" + - name: "1-acylglycerol-3P-palm" + - compartment: "c" + - formula: "C19H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00497c" + - name: "1-acylglycerol-3P-palmn" + - compartment: "c" + - formula: "C19H35O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00498c" + - name: "1-acylglycerol-3P-pentade" + - compartment: "c" + - formula: "C18H35O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00499c" + - name: "1-acylglycerol-3P-stea" + - compartment: "c" + - formula: "C21H41O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00500c" + - name: "1-acylglycerol-3P-tetraco" + - compartment: "c" + - formula: "C27H53O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00501c" + - name: "1-acylglycerol-3P-trico" + - compartment: "c" + - formula: "C26H51O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00502c" + - name: "1-acylglycerol-3P-tridec" + - compartment: "c" + - formula: "C16H31O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00503c" + - name: "1-acylglycerol-chylomicron pool" + - compartment: "c" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00503s" + - name: "1-acylglycerol-chylomicron pool" + - compartment: "s" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00504c" + - name: "1-acylglycerol-LD-PC pool" + - compartment: "c" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00505c" + - name: "1-acylglycerol-LD-PE pool" + - compartment: "c" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00506c" + - name: "1-acylglycerol-LD-PI pool" + - compartment: "c" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00507c" + - name: "1-acylglycerol-LD-PS pool" + - compartment: "c" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00508c" + - name: "1-acylglycerol-LD-SM pool" + - compartment: "c" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00509c" + - name: "1-acylglycerol-LD-TG1 pool" + - compartment: "c" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00510c" + - name: "1-acylglycerol-VLDL pool" + - compartment: "c" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00510s" + - name: "1-acylglycerol-VLDL pool" + - compartment: "s" + - formula: "C4H7O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00511c" + - name: "1-acyl-PE pool" + - compartment: "c" + - formula: "C6H13NO7PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00512c" + - name: "1-alkenyl-2-acylglycerol" + - compartment: "c" + - formula: "C6H8O4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00513c" + - name: "1-alkyl-2-acetyl-sn-glycerol" + - compartment: "c" + - formula: "C5H9O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00514c" + - name: "1-alkyl-2-acylglycerol" + - compartment: "c" + - formula: "C4H6O4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00515c" + - name: "1-alkyl-2-acylglycerophosphoethanolamine" + - compartment: "c" + - formula: "C6H12NO7PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00516c" + - name: "1-alkyl-2-lysoglycerol-3-phosphocholine" + - compartment: "c" + - formula: "C8H19NO6PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00516s" + - name: "1-alkyl-2-lysoglycerol-3-phosphocholine" + - compartment: "s" + - formula: "C8H19NO6PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00518m" + - name: "1-alpha,24R,25-trihydroxyvitamin D2" + - compartment: "m" + - formula: "C28H44O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00519m" + - name: "1-alpha,25-dihydroxyvitamin D2" + - compartment: "m" + - formula: "C28H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00520c" + - name: "1-deoxy-1-(N6-lysino)-D-fructose" + - compartment: "c" + - formula: "C12H25N2O7" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00521c" + - name: "1D-myo-inositol-1,3,4,5,6-pentakisphosphate" + - compartment: "c" + - formula: "C6H7O21P5" + - charge: -10 + - inchis: "" + - !!omap + - id: "m00521n" + - name: "1D-myo-inositol-1,3,4,5,6-pentakisphosphate" + - compartment: "n" + - formula: "C6H7O21P5" + - charge: -10 + - inchis: "" + - !!omap + - id: "m00522c" + - name: "1D-myo-inositol-1,3,4,5-tetrakisphosphate" + - compartment: "c" + - formula: "C6H8O18P4" + - charge: -8 + - inchis: "" + - !!omap + - id: "m00522n" + - name: "1D-myo-inositol-1,3,4,5-tetrakisphosphate" + - compartment: "n" + - formula: "C6H8O18P4" + - charge: -8 + - inchis: "" + - !!omap + - id: "m00523c" + - name: "1D-myo-inositol-1,3,4,6-tetrakisphosphate" + - compartment: "c" + - formula: "C6H8O18P4" + - charge: -8 + - inchis: "" + - !!omap + - id: "m00523n" + - name: "1D-myo-inositol-1,3,4,6-tetrakisphosphate" + - compartment: "n" + - formula: "C6H8O18P4" + - charge: -8 + - inchis: "" + - !!omap + - id: "m00524c" + - name: "1D-myo-inositol-1,3,4-trisphosphate" + - compartment: "c" + - formula: "C6H9O15P3" + - charge: -6 + - inchis: "" + - !!omap + - id: "m00525c" + - name: "1D-myo-inositol-1,4,5,6-tetrakisphosphate" + - compartment: "c" + - formula: "C6H8O18P4" + - charge: -8 + - inchis: "" + - !!omap + - id: "m00525n" + - name: "1D-myo-inositol-1,4,5,6-tetrakisphosphate" + - compartment: "n" + - formula: "C6H8O18P4" + - charge: -8 + - inchis: "" + - !!omap + - id: "m00526c" + - name: "1D-myo-inositol-1,4-bisphosphate" + - compartment: "c" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00526n" + - name: "1D-myo-inositol-1,4-bisphosphate" + - compartment: "n" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00527c" + - name: "1D-myo-inositol-3,4,5,6-tetrakisphosphate" + - compartment: "c" + - formula: "C6H8O18P4" + - charge: -8 + - inchis: "" + - !!omap + - id: "m00528c" + - name: "1D-myo-inositol-3,4-bisphosphate" + - compartment: "c" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00529c" + - name: "1D-myo-inositol-3-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00530c" + - name: "1D-myo-inositol-4-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00531c" + - name: "1D-myo-inositol-bisdiphosphate-tetrakisphosphate" + - compartment: "c" + - formula: "C6H6O30P8" + - charge: -14 + - inchis: "" + - !!omap + - id: "m00531n" + - name: "1D-myo-inositol-bisdiphosphate-tetrakisphosphate" + - compartment: "n" + - formula: "C6H6O30P8" + - charge: -14 + - inchis: "" + - !!omap + - id: "m00532c" + - name: "1-hexadecylglycerol-3-phosphate" + - compartment: "c" + - formula: "C19H39O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00533c" + - name: "1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether" + - compartment: "c" + - formula: "C18H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00534c" + - name: "1-lyso-2-arachidonoyl-phosphatidate" + - compartment: "c" + - formula: "C23H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00535c" + - name: "1-lysolecithin pool" + - compartment: "c" + - formula: "C9H19NO7PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00536c" + - name: "1-methylnicotinamide" + - compartment: "c" + - formula: "C7H9N2O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00536s" + - name: "1-methylnicotinamide" + - compartment: "s" + - formula: "C7H9N2O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00538c" + - name: "1-naphthol" + - compartment: "c" + - formula: "C10H8O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00539c" + - name: "1-naphthylamine" + - compartment: "c" + - formula: "C10H9N" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00540c" + - name: "1-nitro-5,6-dihydroxy-dihydronaphthalene" + - compartment: "c" + - formula: "C10H9NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00541c" + - name: "1-nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene" + - compartment: "c" + - formula: "C20H24N4O9S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00542c" + - name: "1-nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene" + - compartment: "c" + - formula: "C20H24N4O9S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00543c" + - name: "1-nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene" + - compartment: "c" + - formula: "C20H24N4O9S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00544c" + - name: "1-nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene" + - compartment: "c" + - formula: "C20H24N4O9S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00545c" + - name: "1-nitronaphthalene" + - compartment: "c" + - formula: "C10H6NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00545s" + - name: "1-nitronaphthalene" + - compartment: "s" + - formula: "C10H6NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00546c" + - name: "1-nitronaphthalene-5,6-oxide" + - compartment: "c" + - formula: "C10H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00547c" + - name: "1-nitronaphthalene-7,8-oxide" + - compartment: "c" + - formula: "C10H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00548c" + - name: "1-nitrosonaphthalene" + - compartment: "c" + - formula: "C10H7NO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00549c" + - name: "1-organyl-2-lyso-sn-glycero-3-phosphocholine" + - compartment: "c" + - formula: "C8H19NO6PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00549s" + - name: "1-organyl-2-lyso-sn-glycero-3-phosphocholine" + - compartment: "s" + - formula: "C8H19NO6PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00550p" + - name: "1-palmitoyl-dihydroxyacetone-phosphate" + - compartment: "p" + - formula: "C19H35O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00551c" + - name: "1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate" + - compartment: "c" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00551n" + - name: "1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate" + - compartment: "n" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00552c" + - name: "1-phosphatidyl-1D-myo-inositol-3-phosphate" + - compartment: "c" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00552n" + - name: "1-phosphatidyl-1D-myo-inositol-3-phosphate" + - compartment: "n" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00552r" + - name: "1-phosphatidyl-1D-myo-inositol-3-phosphate" + - compartment: "r" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00553c" + - name: "1-phosphatidyl-1D-myo-inositol-4-phosphate" + - compartment: "c" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00553n" + - name: "1-phosphatidyl-1D-myo-inositol-4-phosphate" + - compartment: "n" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00554c" + - name: "1-phosphatidyl-1D-myo-inositol-5-phosphate" + - compartment: "c" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00554g" + - name: "1-phosphatidyl-1D-myo-inositol-5-phosphate" + - compartment: "g" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00554n" + - name: "1-phosphatidyl-1D-myo-inositol-5-phosphate" + - compartment: "n" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00554r" + - name: "1-phosphatidyl-1D-myo-inositol-5-phosphate" + - compartment: "r" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00555c" + - name: "1-phosphatidyl-myo-inositol-3,5-bisphosphate" + - compartment: "c" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00555g" + - name: "1-phosphatidyl-myo-inositol-3,5-bisphosphate" + - compartment: "g" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00555r" + - name: "1-phosphatidyl-myo-inositol-3,5-bisphosphate" + - compartment: "r" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00556c" + - name: "1-piperideine-6-carboxylate" + - compartment: "c" + - formula: "C6H8NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00556p" + - name: "1-piperideine-6-carboxylate" + - compartment: "p" + - formula: "C6H8NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00557c" + - name: "1-pyrroline" + - compartment: "c" + - formula: "C4H8N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00557m" + - name: "1-pyrroline" + - compartment: "m" + - formula: "C4H8N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00558c" + - name: "1-pyrroline-2-carboxylate" + - compartment: "c" + - formula: "C5H6NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00559c" + - name: "1-pyrroline-5-carboxylate" + - compartment: "c" + - formula: "C5H6NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00559m" + - name: "1-pyrroline-5-carboxylate" + - compartment: "m" + - formula: "C5H6NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00560c" + - name: "1-radyl-2-acyl-sn-glycero-3-phosphocholine" + - compartment: "c" + - formula: "C9H18NO7PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00561c" + - name: "2-(alpha-hydroxyethyl)thiamine-diphosphate" + - compartment: "c" + - formula: "C14H20N4O8P2S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00562m" + - name: "2(R),6-dimethyl-heptanoyl-CoA" + - compartment: "m" + - formula: "C30H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00563c" + - name: "2(S),6-dimethyl-heptanoyl-CoA" + - compartment: "c" + - formula: "C30H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00563m" + - name: "2(S),6-dimethyl-heptanoyl-CoA" + - compartment: "m" + - formula: "C30H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00564p" + - name: "2(S)-pristanal" + - compartment: "p" + - formula: "C19H38O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00565c" + - name: "2-(S-glutathionyl)acetyl chloride" + - compartment: "c" + - formula: "C12H17ClN3O7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00566c" + - name: "2-(S-glutathionyl)acetyl glutathione" + - compartment: "c" + - formula: "C22H32N6O13S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00567c" + - name: "2,2-dichloro-1,1-ethanediol" + - compartment: "c" + - formula: "C2H4Cl2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00568c" + - name: "2,2-dichloroacetaldehyde" + - compartment: "c" + - formula: "C2H2Cl2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00569c" + - name: "2,3-bisphospho-D-glycerate" + - compartment: "c" + - formula: "C3H3O10P2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00571c" + - name: "2,3-dihydro-2-S-glutathionyl-3-hydroxy bromobenzene" + - compartment: "c" + - formula: "C16H22BrN3O7S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00572c" + - name: "2,3-diketo-5-methylthiopentyl-1-phosphate" + - compartment: "c" + - formula: "C6H9O6PS" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00573c" + - name: "2,3-diketo-L-gulonate" + - compartment: "c" + - formula: "C6H7O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00574c" + - name: "2,5-diamino-6-(5-triphosphoryl-3,4-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine" + - compartment: "c" + - formula: "C9H14N5O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00574n" + - name: "2,5-diamino-6-(5-triphosphoryl-3,4-trihydroxy-2-oxopentyl)-amino-4-oxopyrimidine" + - compartment: "n" + - formula: "C9H14N5O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00575c" + - name: "2,5-diaminopyrimidine nucleoside triphosphate" + - compartment: "c" + - formula: "C9H14N5O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00575n" + - name: "2,5-diaminopyrimidine nucleoside triphosphate" + - compartment: "n" + - formula: "C9H14N5O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00576c" + - name: "2,5-dihydroxybenzoate" + - compartment: "c" + - formula: "C7H5O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00577c" + - name: "2,6-dimethylheptanoyl-carnitine" + - compartment: "c" + - formula: "C16H31NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00577m" + - name: "2,6-dimethylheptanoyl-carnitine" + - compartment: "m" + - formula: "C16H31NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00577s" + - name: "2,6-dimethylheptanoyl-carnitine" + - compartment: "s" + - formula: "C16H31NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00578m" + - name: "2,6-dimethyl-trans-2-heptenoyl-CoA" + - compartment: "m" + - formula: "C30H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00580c" + - name: "20alpha-hydroxy-4-pregnen-3-one" + - compartment: "c" + - formula: "C21H32O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00580s" + - name: "20alpha-hydroxy-4-pregnen-3-one" + - compartment: "s" + - formula: "C21H32O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00581m" + - name: "20-CoA-20-oxo-18r-hydroxy-LTB4" + - compartment: "m" + - formula: "C41H59N7O22P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00581p" + - name: "20-CoA-20-oxo-18r-hydroxy-LTB4" + - compartment: "p" + - formula: "C41H59N7O22P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00582c" + - name: "20-CoA-20-oxo-LTB4" + - compartment: "c" + - formula: "C41H59N7O21P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00582m" + - name: "20-CoA-20-oxo-LTB4" + - compartment: "m" + - formula: "C41H59N7O21P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00582p" + - name: "20-CoA-20-oxo-LTB4" + - compartment: "p" + - formula: "C41H59N7O21P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00582r" + - name: "20-CoA-20-oxo-LTB4" + - compartment: "r" + - formula: "C41H59N7O21P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00583c" + - name: "20-COOH-10,11-dihydro-LTB4" + - compartment: "c" + - formula: "C20H30O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00583m" + - name: "20-COOH-10,11-dihydro-LTB4" + - compartment: "m" + - formula: "C20H30O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00583p" + - name: "20-COOH-10,11-dihydro-LTB4" + - compartment: "p" + - formula: "C20H30O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00584p" + - name: "20-COOH-18-oxo-LTE4-CoA" + - compartment: "p" + - formula: "C44H62N8O23P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00585c" + - name: "20-COOH-LTB4" + - compartment: "c" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00585m" + - name: "20-COOH-LTB4" + - compartment: "m" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00585p" + - name: "20-COOH-LTB4" + - compartment: "p" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00585r" + - name: "20-COOH-LTB4" + - compartment: "r" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00586p" + - name: "20-COOH-LTE4" + - compartment: "p" + - formula: "C23H33NO7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00587p" + - name: "20-COOH-LTE4-CoA" + - compartment: "p" + - formula: "C44H64N8O22P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00588r" + - name: "20-dihydroxy-LTB4" + - compartment: "r" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00589c" + - name: "20-hydroperoxy-H4-neuroprostane" + - compartment: "c" + - formula: "C22H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00590c" + - name: "20-hydroxy-5S-HETE" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00591c" + - name: "20-hydroxy-arachidonate" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00591s" + - name: "20-hydroxy-arachidonate" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00592r" + - name: "20-hydroxycholesterol" + - compartment: "r" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00593c" + - name: "20-hydroxy-D4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00594c" + - name: "20-hydroxy-E4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00595c" + - name: "20-hydroxy-LTB5" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00595r" + - name: "20-hydroxy-LTB5" + - compartment: "r" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00596p" + - name: "20-hydroxy-LTE4" + - compartment: "p" + - formula: "C23H36NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00597c" + - name: "20-OH-10,11-dihydro-LTB4" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00598c" + - name: "20-OH-hepoxilin A3" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00598r" + - name: "20-OH-hepoxilin A3" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00599c" + - name: "20-OH-LTB4" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00599m" + - name: "20-OH-LTB4" + - compartment: "m" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00599r" + - name: "20-OH-LTB4" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00600c" + - name: "20-oxo-LTB4" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00600m" + - name: "20-oxo-LTB4" + - compartment: "m" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00600r" + - name: "20-oxo-LTB4" + - compartment: "r" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00601p" + - name: "20-oxo-LTE4" + - compartment: "p" + - formula: "C23H34NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00602c" + - name: "20-trihydroxy-LTB4" + - compartment: "c" + - formula: "C20H31O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00602r" + - name: "20-trihydroxy-LTB4" + - compartment: "r" + - formula: "C20H31O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00604c" + - name: "21-hydroxyallopregnanolone" + - compartment: "c" + - formula: "C21H34O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00605c" + - name: "21-hydroxypregnenolone" + - compartment: "c" + - formula: "C21H32O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00606m" + - name: "22beta-hydroxycholesterol" + - compartment: "m" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00607c" + - name: "23S,25,26-trihydroxyvitamin D3" + - compartment: "c" + - formula: "C27H44O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00607m" + - name: "23S,25,26-trihydroxyvitamin D3" + - compartment: "m" + - formula: "C27H44O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00608c" + - name: "23s,25-dihydroxyvitamin D3" + - compartment: "c" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00608m" + - name: "23s,25-dihydroxyvitamin D3" + - compartment: "m" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00609c" + - name: "24,25-dihydrolanosterol" + - compartment: "c" + - formula: "C30H52O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00610c" + - name: "24-hydroxycholesterol" + - compartment: "c" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00611c" + - name: "24-oxo-1alpha,23,25-trihydroxyvitamin D3" + - compartment: "c" + - formula: "C27H42O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00611m" + - name: "24-oxo-1alpha,23,25-trihydroxyvitamin D3" + - compartment: "m" + - formula: "C27H42O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00612c" + - name: "24-oxo-1alpha,25-dihydroxyvitamin D3" + - compartment: "c" + - formula: "C27H42O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00612m" + - name: "24-oxo-1alpha,25-dihydroxyvitamin D3" + - compartment: "m" + - formula: "C27H42O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00613c" + - name: "24R,25-dihyoxyvitamin D2" + - compartment: "c" + - formula: "C28H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00613m" + - name: "24R,25-dihyoxyvitamin D2" + - compartment: "m" + - formula: "C28H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00613s" + - name: "24R,25-dihyoxyvitamin D2" + - compartment: "s" + - formula: "C28H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00614c" + - name: "25(R)DHCA-CoA" + - compartment: "c" + - formula: "C48H76N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00614p" + - name: "25(R)DHCA-CoA" + - compartment: "p" + - formula: "C48H76N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00614r" + - name: "25(R)DHCA-CoA" + - compartment: "r" + - formula: "C48H76N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00615c" + - name: "25(R)TetraHCA-CoA" + - compartment: "c" + - formula: "C48H76N7O21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00615p" + - name: "25(R)TetraHCA-CoA" + - compartment: "p" + - formula: "C48H76N7O21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00616c" + - name: "25(R)THCA-CoA" + - compartment: "c" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00616m" + - name: "25(R)THCA-CoA" + - compartment: "m" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00616p" + - name: "25(R)THCA-CoA" + - compartment: "p" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00616r" + - name: "25(R)THCA-CoA" + - compartment: "r" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00617p" + - name: "25(S)DHCA-CoA" + - compartment: "p" + - formula: "C48H76N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00618m" + - name: "25(S)THCA-CoA" + - compartment: "m" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00618p" + - name: "25(S)THCA-CoA" + - compartment: "p" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00619r" + - name: "25-hydroxycholesterol" + - compartment: "r" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00620c" + - name: "25-hydroxyvitamin D2" + - compartment: "c" + - formula: "C28H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00620m" + - name: "25-hydroxyvitamin D2" + - compartment: "m" + - formula: "C28H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00620s" + - name: "25-hydroxyvitamin D2" + - compartment: "s" + - formula: "C28H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00621c" + - name: "25-hydroxyvitamin D3-26,23-lactol" + - compartment: "c" + - formula: "C27H42O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00621m" + - name: "25-hydroxyvitamin D3-26,23-lactol" + - compartment: "m" + - formula: "C27H42O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00622c" + - name: "25-hydroxyvitamin D3-26,23-lactone" + - compartment: "c" + - formula: "C27H40O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00622m" + - name: "25-hydroxyvitamin D3-26,23-lactone" + - compartment: "m" + - formula: "C27H40O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00623c" + - name: "26-hydroxycholesterol" + - compartment: "c" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00623m" + - name: "26-hydroxycholesterol" + - compartment: "m" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00623r" + - name: "26-hydroxycholesterol" + - compartment: "r" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00624c" + - name: "27alpha-hydroxy-7-dehydrocholesterol" + - compartment: "c" + - formula: "C27H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00625c" + - name: "27-hydroxycholesterol" + - compartment: "c" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00625m" + - name: "27-hydroxycholesterol" + - compartment: "m" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00626c" + - name: "2-acetyl-1-alkyl-sn-glycero-3-phosphocholine" + - compartment: "c" + - formula: "C10H21NO7PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00626s" + - name: "2-acetyl-1-alkyl-sn-glycero-3-phosphocholine" + - compartment: "s" + - formula: "C10H21NO7PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00627c" + - name: "2-acyl-1-(1-alkenyl)-sn-glycero-3-phosphate" + - compartment: "c" + - formula: "C6H7O7PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00628c" + - name: "2-acyl-1-alkyl-sn-glycero-3-phosphate" + - compartment: "c" + - formula: "C4H5O7PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00629c" + - name: "2-amino-3-carboxymuconate semialdehyde" + - compartment: "c" + - formula: "C7H6NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00630m" + - name: "2-amino-3-oxoadipate" + - compartment: "m" + - formula: "C6H8NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00631c" + - name: "2-aminoadipate 6-semialdehyde" + - compartment: "c" + - formula: "C6H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00631m" + - name: "2-aminoadipate 6-semialdehyde" + - compartment: "m" + - formula: "C6H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00632c" + - name: "2-aminoethylphosphonate" + - compartment: "c" + - formula: "C2H7NO3P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00633c" + - name: "2-aminomuconate semialdehyde" + - compartment: "c" + - formula: "C6H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00634c" + - name: "2-aminomuconate" + - compartment: "c" + - formula: "C6H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00635c" + - name: "2-arachidonoylglycerol" + - compartment: "c" + - formula: "C23H38O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00636c" + - name: "2-bromoacetaldehyde" + - compartment: "c" + - formula: "C2H3BrO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00637c" + - name: "2-bromophenol" + - compartment: "c" + - formula: "C6H5BrO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00638c" + - name: "2-carboxy-2,3-dihydro-5,6-dihydroxyindole" + - compartment: "c" + - formula: "C9H8NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00639c" + - name: "2-deoxy-D-ribose-1-phosphate" + - compartment: "c" + - formula: "C5H9O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00640c" + - name: "2-deoxy-D-ribose-5-phosphate" + - compartment: "c" + - formula: "C5H9O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00641c" + - name: "2-hydroxy-17beta-estradiol-1-S-glutathione" + - compartment: "c" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00641m" + - name: "2-hydroxy-17beta-estradiol-1-S-glutathione" + - compartment: "m" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00641p" + - name: "2-hydroxy-17beta-estradiol-1-S-glutathione" + - compartment: "p" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00641r" + - name: "2-hydroxy-17beta-estradiol-1-S-glutathione" + - compartment: "r" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00642c" + - name: "2-hydroxy-17beta-estradiol-4-S-glutathione" + - compartment: "c" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00642m" + - name: "2-hydroxy-17beta-estradiol-4-S-glutathione" + - compartment: "m" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00642p" + - name: "2-hydroxy-17beta-estradiol-4-S-glutathione" + - compartment: "p" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00642r" + - name: "2-hydroxy-17beta-estradiol-4-S-glutathione" + - compartment: "r" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00644c" + - name: "2-hydroxy-3-methoxy-17beta-estradiol" + - compartment: "c" + - formula: "C19H26O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00645c" + - name: "2-hydroxy-3-methoxyestrone" + - compartment: "c" + - formula: "C19H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00646c" + - name: "2-hydroxy-3-oxopropanoate" + - compartment: "c" + - formula: "C3H3O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00648c" + - name: "2-hydroxybutyrate" + - compartment: "c" + - formula: "C4H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00648s" + - name: "2-hydroxybutyrate" + - compartment: "s" + - formula: "C4H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00649c" + - name: "2-hydroxyestradiol-17beta" + - compartment: "c" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00649l" + - name: "2-hydroxyestradiol-17beta" + - compartment: "l" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00649r" + - name: "2-hydroxyestradiol-17beta" + - compartment: "r" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00650c" + - name: "2-hydroxyestrone" + - compartment: "c" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00650l" + - name: "2-hydroxyestrone" + - compartment: "l" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00650r" + - name: "2-hydroxyestrone" + - compartment: "r" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00651c" + - name: "2-hydroxyestrone-1-S-glutathione" + - compartment: "c" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00651m" + - name: "2-hydroxyestrone-1-S-glutathione" + - compartment: "m" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00651p" + - name: "2-hydroxyestrone-1-S-glutathione" + - compartment: "p" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00651r" + - name: "2-hydroxyestrone-1-S-glutathione" + - compartment: "r" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00652c" + - name: "2-hydroxyestrone-4-S-glutathione" + - compartment: "c" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00652m" + - name: "2-hydroxyestrone-4-S-glutathione" + - compartment: "m" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00652p" + - name: "2-hydroxyestrone-4-S-glutathione" + - compartment: "p" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00652r" + - name: "2-hydroxyestrone-4-S-glutathione" + - compartment: "r" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00653c" + - name: "2-hydroxyglutarate" + - compartment: "c" + - formula: "C5H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00654c" + - name: "2-hydroxyphenylacetate" + - compartment: "c" + - formula: "C8H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00655p" + - name: "2-hydroxyphytanoyl-CoA" + - compartment: "p" + - formula: "C41H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00656c" + - name: "2-lysolecithin pool" + - compartment: "c" + - formula: "C8H19NO5PRCO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00656l" + - name: "2-lysolecithin pool" + - compartment: "l" + - formula: "C8H19NO5PRCO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00656r" + - name: "2-lysolecithin pool" + - compartment: "r" + - formula: "C8H19NO5PRCO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00657m" + - name: "2-methoxy-6-(all-trans-decaprenyl)phenol" + - compartment: "m" + - formula: "C57H88O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00658m" + - name: "2-methoxy-6-all trans-decaprenyl-2-methoxy-1,4-benzoquinol" + - compartment: "m" + - formula: "C57H88O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00659c" + - name: "2-methoxyestradiol-17beta" + - compartment: "c" + - formula: "C19H26O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00660c" + - name: "2-methoxyestrone" + - compartment: "c" + - formula: "C19H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00660r" + - name: "2-methoxyestrone" + - compartment: "r" + - formula: "C19H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00661c" + - name: "2-methyl-3-oxopropanoate" + - compartment: "c" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00661m" + - name: "2-methyl-3-oxopropanoate" + - compartment: "m" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00662m" + - name: "2-methylacetoacetyl-CoA" + - compartment: "m" + - formula: "C26H38N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00663m" + - name: "2-methylbutyryl-CoA" + - compartment: "m" + - formula: "C26H40N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00664m" + - name: "2-methylbutyrylglycine" + - compartment: "m" + - formula: "C7H12NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00665c" + - name: "2-methylcitrate" + - compartment: "c" + - formula: "C7H7O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00665s" + - name: "2-methylcitrate" + - compartment: "s" + - formula: "C7H7O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00666m" + - name: "2-methylglutaconic acid" + - compartment: "m" + - formula: "C6H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00667m" + - name: "2-methylglutaconyl-CoA" + - compartment: "m" + - formula: "C27H37N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00668c" + - name: "2-naphthol" + - compartment: "c" + - formula: "C10H8O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00669c" + - name: "2-oxo-3-methylvalerate" + - compartment: "c" + - formula: "C6H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00669m" + - name: "2-oxo-3-methylvalerate" + - compartment: "m" + - formula: "C6H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00670c" + - name: "2-oxoadipate" + - compartment: "c" + - formula: "C6H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00670m" + - name: "2-oxoadipate" + - compartment: "m" + - formula: "C6H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00671c" + - name: "2-oxobutyrate" + - compartment: "c" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00671m" + - name: "2-oxobutyrate" + - compartment: "m" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00672c" + - name: "2-oxoglutaramate" + - compartment: "c" + - formula: "C5H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00672m" + - name: "2-oxoglutaramate" + - compartment: "m" + - formula: "C5H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00673c" + - name: "2-phenylacetamide" + - compartment: "c" + - formula: "C8H9NO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00674c" + - name: "2-phospho-D-glycerate" + - compartment: "c" + - formula: "C3H4O7P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00675c" + - name: "2-phosphoglycolate" + - compartment: "c" + - formula: "C2H2O6P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00676c" + - name: "2-S-glutathionyl acetate" + - compartment: "c" + - formula: "C12H18N3O8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00677c" + - name: "2-trans,6-trans-farnesal" + - compartment: "c" + - formula: "C15H24O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00678m" + - name: "2-trans-4-cis-decadienoyl-CoA" + - compartment: "m" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00678p" + - name: "2-trans-4-cis-decadienoyl-CoA" + - compartment: "p" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00679c" + - name: "2-trans-7,10,13,16,19-all-cis-docosahexaenoyl-CoA" + - compartment: "c" + - formula: "C43H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00680c" + - name: "2-trans-9,12,15,18,21-all-cis-tetracosahexaenoyl-CoA" + - compartment: "c" + - formula: "C45H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00681c" + - name: "2-trans-9,12,15,18-all-cis-tetracosapentaenoyl-CoA" + - compartment: "c" + - formula: "C45H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00682m" + - name: "2-trans-cis,cis,cis,cis-4,8,11,14-eicosapentaenoyl-CoA" + - compartment: "m" + - formula: "C41H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00682p" + - name: "2-trans-cis,cis,cis,cis-4,8,11,14-eicosapentaenoyl-CoA" + - compartment: "p" + - formula: "C41H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00684c" + - name: "3-(methylthio)propionic acid" + - compartment: "c" + - formula: "C4H7O2S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00685p" + - name: "3(R)-hydroxy-(2S,6R,10)-trimethyl-hendecanoyl-CoA" + - compartment: "p" + - formula: "C35H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00686p" + - name: "3(R)-hydroxy-(4R,8R,12R)-trimethyl-tridecanoyl-CoA" + - compartment: "p" + - formula: "C37H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00687m" + - name: "3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoate" + - compartment: "m" + - formula: "C18H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00687p" + - name: "3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoate" + - compartment: "p" + - formula: "C18H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00688m" + - name: "3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoyl-CoA" + - compartment: "m" + - formula: "C39H60N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00688p" + - name: "3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoyl-CoA" + - compartment: "p" + - formula: "C39H60N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00689m" + - name: "3(S),12(R)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00689p" + - name: "3(S),12(R)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00690m" + - name: "3(S),12(S)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00690p" + - name: "3(S),12(S)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00691m" + - name: "3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA" + - compartment: "m" + - formula: "C41H64N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00691p" + - name: "3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA" + - compartment: "p" + - formula: "C41H64N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00692m" + - name: "3(S),6(R)-dihydroxy-tetradec-(8Z)-enoate" + - compartment: "m" + - formula: "C14H25O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00693m" + - name: "3(S),6(S)-dihydroxy-tetradec-(8Z)-enoate" + - compartment: "m" + - formula: "C14H25O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00694m" + - name: "3(S),8(R)-dihydroxy-(6E,10Z)-hexadecadienoate" + - compartment: "m" + - formula: "C16H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00695m" + - name: "3(S),8(S)-dihydroxy-(6E,10Z)-hexadecadienoate" + - compartment: "m" + - formula: "C16H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00696m" + - name: "3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA" + - compartment: "m" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00696p" + - name: "3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA" + - compartment: "p" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00697m" + - name: "3(S)-hydroxy-(6Z,9Z,12Z)-octadecatrienoyl-CoA" + - compartment: "m" + - formula: "C39H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00697p" + - name: "3(S)-hydroxy-(6Z,9Z,12Z)-octadecatrienoyl-CoA" + - compartment: "p" + - formula: "C39H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00698c" + - name: "3(S)-hydroxy-10,13,16-all-cis-docosatrienoyl-CoA" + - compartment: "c" + - formula: "C43H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00699c" + - name: "3(S)-hydroxy-11-cis-docosenoyl-CoA" + - compartment: "c" + - formula: "C43H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00700c" + - name: "3(S)-hydroxy-11-cis-eicosenoyl-CoA" + - compartment: "c" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00700m" + - name: "3(S)-hydroxy-11-cis-eicosenoyl-CoA" + - compartment: "m" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00700p" + - name: "3(S)-hydroxy-11-cis-eicosenoyl-CoA" + - compartment: "p" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00701c" + - name: "3(S)-hydroxy-13-cis-docosenoyl-CoA" + - compartment: "c" + - formula: "C43H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00701m" + - name: "3(S)-hydroxy-13-cis-docosenoyl-CoA" + - compartment: "m" + - formula: "C43H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00701p" + - name: "3(S)-hydroxy-13-cis-docosenoyl-CoA" + - compartment: "p" + - formula: "C43H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00702c" + - name: "3(S)-hydroxy-13-cis-eicosenoyl-CoA" + - compartment: "c" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00702m" + - name: "3(S)-hydroxy-13-cis-eicosenoyl-CoA" + - compartment: "m" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00702p" + - name: "3(S)-hydroxy-13-cis-eicosenoyl-CoA" + - compartment: "p" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00703m" + - name: "3(S)-hydroxy-2(S),6-dimethyl-heptanoyl-CoA" + - compartment: "m" + - formula: "C30H48N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00704c" + - name: "3(S)-hydroxy-3-oxo-eicosadienoyl-CoA" + - compartment: "c" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00705m" + - name: "3(S)-hydroxy-4(R),8-dimethyl-nonanoyl-CoA" + - compartment: "m" + - formula: "C32H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00706m" + - name: "3(S)-hydroxy-4-methyl-pentanoyl-CoA" + - compartment: "m" + - formula: "C27H42N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00707c" + - name: "3(S)-hydroxy-9-cis-eicosenoyl-CoA" + - compartment: "c" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00708c" + - name: "3(S)-hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00709c" + - name: "3(S)-hydroxy-cis-15-tetracosaenoyl-CoA" + - compartment: "c" + - formula: "C45H76N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00709p" + - name: "3(S)-hydroxy-cis-15-tetracosaenoyl-CoA" + - compartment: "p" + - formula: "C45H76N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00710c" + - name: "3(S)-hydroxy-dihomo-gamma-linolenoyl-CoA" + - compartment: "c" + - formula: "C41H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00710m" + - name: "3(S)-hydroxy-dihomo-gamma-linolenoyl-CoA" + - compartment: "m" + - formula: "C41H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00710p" + - name: "3(S)-hydroxy-dihomo-gamma-linolenoyl-CoA" + - compartment: "p" + - formula: "C41H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00711c" + - name: "3(S)-hydroxy-docosa-10,13,16,19-all-cis-tetraenoyl-CoA" + - compartment: "c" + - formula: "C43H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00712c" + - name: "3(S)-hydroxy-docosa-13,16,19-all-cis-trienoyl-CoA" + - compartment: "c" + - formula: "C43H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00713c" + - name: "3(S)-hydroxy-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA" + - compartment: "c" + - formula: "C43H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00714c" + - name: "3(S)-hydroxy-docosa-7,10,13,16-all-cis-tetraenoyl-CoA" + - compartment: "c" + - formula: "C43H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00715c" + - name: "3(S)-hydroxy-hexacosenoyl-CoA" + - compartment: "c" + - formula: "C47H80N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00715p" + - name: "3(S)-hydroxy-hexacosenoyl-CoA" + - compartment: "p" + - formula: "C47H80N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00716c" + - name: "3(S)-hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA" + - compartment: "c" + - formula: "C45H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00717p" + - name: "3(S)-hydroxy-tetracosa-6,9,12,15,18-all-cis-pentaenoyl-CoA" + - compartment: "p" + - formula: "C45H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00718c" + - name: "3(S)-hydroxy-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA" + - compartment: "c" + - formula: "C45H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00719c" + - name: "3,3,5-triiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "c" + - formula: "C21H19I3NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00719r" + - name: "3,3,5-triiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "r" + - formula: "C21H19I3NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00720c" + - name: "3,3-diiodo-L-thyronine" + - compartment: "c" + - formula: "C15H13I2NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00720r" + - name: "3,3-diiodo-L-thyronine" + - compartment: "r" + - formula: "C15H13I2NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00721c" + - name: "3,3-diiodo-L-thyronine-4-O-sulfate" + - compartment: "c" + - formula: "C15H12I2NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00722c" + - name: "3,3-diiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "c" + - formula: "C21H20I2NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00722r" + - name: "3,3-diiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "r" + - formula: "C21H20I2NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00723c" + - name: "3,4-dihydro-1,4-benzothiazine-3-carboxylate" + - compartment: "c" + - formula: "C12H13N2O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00724c" + - name: "3,4-dihydro-3-hydroxy-4-S-glutathionyl bromobenzene" + - compartment: "c" + - formula: "C16H22BrN3O7S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00725m" + - name: "3,4-dihydroxy-5-all-trans-decaprenylbenzoate" + - compartment: "m" + - formula: "C57H85O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00726c" + - name: "3,4-dihydroxymandelaldehyde" + - compartment: "c" + - formula: "C8H8O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00727c" + - name: "3,4-dihydroxymandelate" + - compartment: "c" + - formula: "C8H7O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00728c" + - name: "3,4-dihydroxyphenylacetaldehyde" + - compartment: "c" + - formula: "C8H8O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00729c" + - name: "3,4-dihydroxyphenylacetate" + - compartment: "c" + - formula: "C8H7O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00730c" + - name: "3,4-dihydroxyphenylethyleneglycol" + - compartment: "c" + - formula: "C8H10O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00730s" + - name: "3,4-dihydroxyphenylethyleneglycol" + - compartment: "s" + - formula: "C8H10O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00731c" + - name: "3,4-epoxynonanal" + - compartment: "c" + - formula: "C9H16O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00732c" + - name: "3,5,3,5-tetraiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "c" + - formula: "C21H18I4NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00732r" + - name: "3,5,3,5-tetraiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "r" + - formula: "C21H18I4NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00733c" + - name: "3,5,3-triiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "c" + - formula: "C21H19I3NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00733r" + - name: "3,5,3-triiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "r" + - formula: "C21H19I3NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00734c" + - name: "3,5,3-triiodothyronine-4-sulfate" + - compartment: "c" + - formula: "C15H11I3NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00734s" + - name: "3,5,3-triiodothyronine-4-sulfate" + - compartment: "s" + - formula: "C15H11I3NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00735c" + - name: "3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine" + - compartment: "c" + - formula: "C11H14N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00736c" + - name: "3,5-diiodo-L-thyronine" + - compartment: "c" + - formula: "C15H13I2NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00736r" + - name: "3,5-diiodo-L-thyronine" + - compartment: "r" + - formula: "C15H13I2NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00737c" + - name: "3,5-diiodo-L-thyronine-4-O-sulfate" + - compartment: "c" + - formula: "C15H12I2NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00738c" + - name: "3,5-diiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "c" + - formula: "C21H20I2NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00738r" + - name: "3,5-diiodo-L-thyronine-beta-D-glucuronoside" + - compartment: "r" + - formula: "C21H20I2NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00739c" + - name: "3,5-diiodo-L-tyrosine" + - compartment: "c" + - formula: "C9H9I2NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00740m" + - name: "3,5-dioxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "m" + - formula: "C41H60N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00740p" + - name: "3,5-dioxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "p" + - formula: "C41H60N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00741m" + - name: "3,5-dioxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "m" + - formula: "C41H60N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00741p" + - name: "3,5-dioxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "p" + - formula: "C41H60N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00742c" + - name: "3,7,24THCA" + - compartment: "c" + - formula: "C27H45O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00742m" + - name: "3,7,24THCA" + - compartment: "m" + - formula: "C27H45O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00743c" + - name: "3,7,24THCA-CoA" + - compartment: "c" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00743p" + - name: "3,7,24THCA-CoA" + - compartment: "p" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00744c" + - name: "3,8-LD1" + - compartment: "c" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00744g" + - name: "3,8-LD1" + - compartment: "g" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00744s" + - name: "3,8-LD1" + - compartment: "s" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00745c" + - name: "3alpha,12alpha-dihydroxy-5beta-cholanate" + - compartment: "c" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00745r" + - name: "3alpha,12alpha-dihydroxy-5beta-cholanate" + - compartment: "r" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00746m" + - name: "3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al" + - compartment: "m" + - formula: "C27H46O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00747r" + - name: "3alpha,7alpha,12alpha,25-tetrahydroxy-5beta-cholestane-24-one" + - compartment: "r" + - formula: "C27H46O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00748m" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA" + - compartment: "m" + - formula: "C48H74N7O21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00748p" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA" + - compartment: "p" + - formula: "C48H74N7O21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00749m" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA" + - compartment: "m" + - formula: "C48H74N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00749p" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA" + - compartment: "p" + - formula: "C48H74N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00750c" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al" + - compartment: "c" + - formula: "C27H46O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00750m" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al" + - compartment: "m" + - formula: "C27H46O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00751m" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-al" + - compartment: "m" + - formula: "C27H46O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00752c" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate" + - compartment: "c" + - formula: "C27H45O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00752m" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate" + - compartment: "m" + - formula: "C27H45O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00752p" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate" + - compartment: "p" + - formula: "C27H45O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00752r" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate" + - compartment: "r" + - formula: "C27H45O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00753m" + - name: "3alpha,7alpha,24(S)-trihydroxy-5beta-cholestan-27-al" + - compartment: "m" + - formula: "C27H46O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00754p" + - name: "3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestanoyl coa" + - compartment: "p" + - formula: "C48H74N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00755p" + - name: "3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA" + - compartment: "p" + - formula: "C48H74N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00756c" + - name: "3alpha,7alpha-dihydroxy-5beta-cholestan-26-al" + - compartment: "c" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00756m" + - name: "3alpha,7alpha-dihydroxy-5beta-cholestan-26-al" + - compartment: "m" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00757m" + - name: "3alpha,7alpha-dihydroxy-5beta-cholestan-27-al" + - compartment: "m" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00758c" + - name: "3alpha,7alpha-dihydroxy-5beta-cholestanate" + - compartment: "c" + - formula: "C27H45O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00758m" + - name: "3alpha,7alpha-dihydroxy-5beta-cholestanate" + - compartment: "m" + - formula: "C27H45O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00758p" + - name: "3alpha,7alpha-dihydroxy-5beta-cholestanate" + - compartment: "p" + - formula: "C27H45O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00758r" + - name: "3alpha,7alpha-dihydroxy-5beta-cholestanate" + - compartment: "r" + - formula: "C27H45O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00759c" + - name: "3alpha-hydroxy-5alpha-pregnan-20-one" + - compartment: "c" + - formula: "C21H34O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00760c" + - name: "3-amino-propanal" + - compartment: "c" + - formula: "C3H8NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00761m" + - name: "3beta,7alpha-dihydroxy-5-cholestenoate" + - compartment: "m" + - formula: "C27H43O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00762g" + - name: "3-beta-D-glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein" + - compartment: "g" + - formula: "C23H36O20X" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00763m" + - name: "3beta-hydroxy-5-cholestenal" + - compartment: "m" + - formula: "C27H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00764m" + - name: "3beta-hydroxy-5-cholestene-27-oate" + - compartment: "m" + - formula: "C27H43O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00765m" + - name: "3-carboxy-1-hydroxypropyl-ThPP" + - compartment: "m" + - formula: "C16H21N4O10P2S" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00766c" + - name: "3-carboxy-alpha-chromanol" + - compartment: "c" + - formula: "C16H21O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00766m" + - name: "3-carboxy-alpha-chromanol" + - compartment: "m" + - formula: "C16H21O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00767m" + - name: "3-decaprenyl-4-hydroxybenzoate" + - compartment: "m" + - formula: "C57H85O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00768c" + - name: "3-dehydro-L-gulonate" + - compartment: "c" + - formula: "C6H9O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00769c" + - name: "3-dehydrosphinganine" + - compartment: "c" + - formula: "C18H38NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00770m" + - name: "3-demethylubiquinol-10" + - compartment: "m" + - formula: "C58H90O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00771c" + - name: "3-deoxy-D-glycero-D-galacto-2-nonulosonic acid" + - compartment: "c" + - formula: "C9H15O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00771s" + - name: "3-deoxy-D-glycero-D-galacto-2-nonulosonic acid" + - compartment: "s" + - formula: "C9H15O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00772c" + - name: "3-deoxy-D-glycero-D-galacto-2-nonulosonic acid-9-phosphate" + - compartment: "c" + - formula: "C9H14O12P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00773m" + - name: "3-hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA" + - compartment: "m" + - formula: "C31H48N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00773p" + - name: "3-hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA" + - compartment: "p" + - formula: "C31H48N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00775c" + - name: "3-hydroxyanthranilate" + - compartment: "c" + - formula: "C7H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00776c" + - name: "3-hydroxydocosanoyl-CoA" + - compartment: "c" + - formula: "C43H74N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00776m" + - name: "3-hydroxydocosanoyl-CoA" + - compartment: "m" + - formula: "C43H74N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00776p" + - name: "3-hydroxydocosanoyl-CoA" + - compartment: "p" + - formula: "C43H74N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00777c" + - name: "3-hydroxyeicosanoyl-CoA" + - compartment: "c" + - formula: "C41H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00777m" + - name: "3-hydroxyeicosanoyl-CoA" + - compartment: "m" + - formula: "C41H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00777p" + - name: "3-hydroxyeicosanoyl-CoA" + - compartment: "p" + - formula: "C41H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00778c" + - name: "3-hydroxyheneicosanoyl-CoA" + - compartment: "c" + - formula: "C42H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00778m" + - name: "3-hydroxyheneicosanoyl-CoA" + - compartment: "m" + - formula: "C42H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00779c" + - name: "3-hydroxyheptadecanoyl-[ACP]" + - compartment: "c" + - formula: "C28H53N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00780m" + - name: "3-hydroxyheptadecanoyl-CoA" + - compartment: "m" + - formula: "C38H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00781c" + - name: "3-hydroxyheptanoyl-[ACP]" + - compartment: "c" + - formula: "C18H33N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00782m" + - name: "3-hydroxyheptanoyl-CoA" + - compartment: "m" + - formula: "C28H44N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00783c" + - name: "3-hydroxyhexacosanoyl-CoA" + - compartment: "c" + - formula: "C47H82N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00783p" + - name: "3-hydroxyhexacosanoyl-CoA" + - compartment: "p" + - formula: "C47H82N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00784m" + - name: "3-hydroxyisobutyrate" + - compartment: "m" + - formula: "C4H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00785m" + - name: "3-hydroxyisobutyryl-CoA" + - compartment: "m" + - formula: "C25H38N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00786c" + - name: "3-hydroxykynurenamine" + - compartment: "c" + - formula: "C9H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00787c" + - name: "3-hydroxykynurenine-O-beta-D-glucoside" + - compartment: "c" + - formula: "C16H22N2O9" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00788c" + - name: "3-hydroxy-L-kynurenine" + - compartment: "c" + - formula: "C10H12N2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00789c" + - name: "3-hydroxy-N6,N6,N6-trimethyl-L-lysine" + - compartment: "c" + - formula: "C9H20N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00790c" + - name: "3-hydroxynonadecanoyl-CoA" + - compartment: "c" + - formula: "C40H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00790m" + - name: "3-hydroxynonadecanoyl-CoA" + - compartment: "m" + - formula: "C40H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00791c" + - name: "3-hydroxynonanoyl-[ACP]" + - compartment: "c" + - formula: "C20H37N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00792m" + - name: "3-hydroxynonanoyl-CoA" + - compartment: "m" + - formula: "C30H48N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00793c" + - name: "3-hydroxyoctadecanoyl-CoA" + - compartment: "c" + - formula: "C39H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00793m" + - name: "3-hydroxyoctadecanoyl-CoA" + - compartment: "m" + - formula: "C39H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00793p" + - name: "3-hydroxyoctadecanoyl-CoA" + - compartment: "p" + - formula: "C39H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00794c" + - name: "3-hydroxypentadecanoyl-[ACP]" + - compartment: "c" + - formula: "C26H49N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00795m" + - name: "3-hydroxypentadecanoyl-CoA" + - compartment: "m" + - formula: "C36H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00796c" + - name: "3-hydroxypentanoyl-[ACP]" + - compartment: "c" + - formula: "C16H29N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00797m" + - name: "3-hydroxypentanoyl-CoA" + - compartment: "m" + - formula: "C26H40N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00798p" + - name: "3-hydroxypristanoyl-CoA" + - compartment: "p" + - formula: "C40H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00799m" + - name: "3-hydroxypropionyl-CoA" + - compartment: "m" + - formula: "C24H36N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00800c" + - name: "3-hydroxytetracosanoyl-CoA" + - compartment: "c" + - formula: "C45H78N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00800p" + - name: "3-hydroxytetracosanoyl-CoA" + - compartment: "p" + - formula: "C45H78N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00801p" + - name: "3-hydroxy-THA-CoA" + - compartment: "p" + - formula: "C45H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00802c" + - name: "3-hydroxytricosanoyl-CoA" + - compartment: "c" + - formula: "C44H76N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00803c" + - name: "3-hydroxytridecanoyl-[ACP]" + - compartment: "c" + - formula: "C24H45N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00804m" + - name: "3-hydroxytridecanoyl-CoA" + - compartment: "m" + - formula: "C34H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00805c" + - name: "3-hydroxyundecanoyl-[ACP]" + - compartment: "c" + - formula: "C22H41N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00806m" + - name: "3-hydroxyundecanoyl-CoA" + - compartment: "m" + - formula: "C32H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00807c" + - name: "3-iodo-L-tyrosine" + - compartment: "c" + - formula: "C9H10INO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00808c" + - name: "3-isoLM1" + - compartment: "c" + - formula: "C56H96N3O31R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00809c" + - name: "3-keto-4-methylzymosterol" + - compartment: "c" + - formula: "C28H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00810s" + - name: "3-keto-beta-D-galactose" + - compartment: "s" + - formula: "C6H10O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00811c" + - name: "3-keto-eicosa-8,11,14,17-all-cis-tetraenoyl-CoA" + - compartment: "c" + - formula: "C41H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00812s" + - name: "3-ketolactose" + - compartment: "s" + - formula: "C12H20O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00813p" + - name: "3-ketopristanoyl-CoA" + - compartment: "p" + - formula: "C40H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00814p" + - name: "3-keto-THA-CoA" + - compartment: "p" + - formula: "C45H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00815c" + - name: "3-mercaptolactate" + - compartment: "c" + - formula: "C3H5O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00816c" + - name: "3-mercaptolactate-cysteine-disulfide" + - compartment: "c" + - formula: "C6H10O5S2N" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00816s" + - name: "3-mercaptolactate-cysteine-disulfide" + - compartment: "s" + - formula: "C6H10O5S2N" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00817m" + - name: "3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate" + - compartment: "m" + - formula: "C58H87O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00818c" + - name: "3-methoxy-4-hydroxyphenylacetaldehyde" + - compartment: "c" + - formula: "C9H10O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00820c" + - name: "3-methoxy-4-hydroxyphenylglycolaldehyde" + - compartment: "c" + - formula: "C9H10O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00821c" + - name: "3-methoxytyramine" + - compartment: "c" + - formula: "C9H14NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00824c" + - name: "3-methyl-2-oxobutyrate" + - compartment: "c" + - formula: "C5H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00824m" + - name: "3-methyl-2-oxobutyrate" + - compartment: "m" + - formula: "C5H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00825m" + - name: "3-methylcrotonoylglycine" + - compartment: "m" + - formula: "C7H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00826m" + - name: "3-methylcrotonyl-CoA" + - compartment: "m" + - formula: "C26H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00827m" + - name: "3-methylglutaconyl-CoA" + - compartment: "m" + - formula: "C27H37N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00828c" + - name: "3-monoiodo-L-thyronine" + - compartment: "c" + - formula: "C15H14INO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00828r" + - name: "3-monoiodo-L-thyronine" + - compartment: "r" + - formula: "C15H14INO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00829c" + - name: "3-monoiodo-L-thyronine-4-O-sulfate" + - compartment: "c" + - formula: "C15H13INO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00830c" + - name: "3-O-methyldopa" + - compartment: "c" + - formula: "C10H13NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00831m" + - name: "3-oxo-(2S)-methylisocapryloyl-CoA" + - compartment: "m" + - formula: "C30H46N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00832p" + - name: "3-oxo-(2S,6R,10R)-trimethyl-hendecanoyl-CoA" + - compartment: "p" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00833p" + - name: "3-oxo-(4R,8R,12R)-trimethyl-tridecanoyl-CoA" + - compartment: "p" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00834m" + - name: "3-oxo-(6Z,9Z,12Z)-octadecatrienoyl-CoA" + - compartment: "m" + - formula: "C39H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00834p" + - name: "3-oxo-(6Z,9Z,12Z)-octadecatrienoyl-CoA" + - compartment: "p" + - formula: "C39H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00835c" + - name: "3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoate" + - compartment: "c" + - formula: "C18H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00835m" + - name: "3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoate" + - compartment: "m" + - formula: "C18H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00835p" + - name: "3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoate" + - compartment: "p" + - formula: "C18H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00836m" + - name: "3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoyl-CoA" + - compartment: "m" + - formula: "C39H58N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00836p" + - name: "3-oxo-10(R)-hydroxy-octadeca-(6E,8E,12Z)-trienoyl-CoA" + - compartment: "p" + - formula: "C39H58N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00837c" + - name: "3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoate" + - compartment: "c" + - formula: "C18H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00837m" + - name: "3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoate" + - compartment: "m" + - formula: "C18H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00837p" + - name: "3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoate" + - compartment: "p" + - formula: "C18H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00838m" + - name: "3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoyl-CoA" + - compartment: "m" + - formula: "C39H58N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00838p" + - name: "3-oxo-10(S)-hydroxy-octadeca-(6E,8E,12Z)-trienoyl-CoA" + - compartment: "p" + - formula: "C39H58N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00839c" + - name: "3-oxo-11cis-docosenoyl-CoA" + - compartment: "c" + - formula: "C43H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00840c" + - name: "3-oxo-11-cis-eicosenoyl-CoA" + - compartment: "c" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00840m" + - name: "3-oxo-11-cis-eicosenoyl-CoA" + - compartment: "m" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00840p" + - name: "3-oxo-11-cis-eicosenoyl-CoA" + - compartment: "p" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00841m" + - name: "3-oxo-11-cis-octadecenoyl-CoA" + - compartment: "m" + - formula: "C39H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00841p" + - name: "3-oxo-11-cis-octadecenoyl-CoA" + - compartment: "p" + - formula: "C39H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00842c" + - name: "3-oxo-13cis-docosenoyl-CoA" + - compartment: "c" + - formula: "C43H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00842m" + - name: "3-oxo-13cis-docosenoyl-CoA" + - compartment: "m" + - formula: "C43H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00842p" + - name: "3-oxo-13cis-docosenoyl-CoA" + - compartment: "p" + - formula: "C43H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00843c" + - name: "3-oxo-13-cis-eicosenoyl-CoA" + - compartment: "c" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00843m" + - name: "3-oxo-13-cis-eicosenoyl-CoA" + - compartment: "m" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00843p" + - name: "3-oxo-13-cis-eicosenoyl-CoA" + - compartment: "p" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00844m" + - name: "3-oxo-4(R),8-dimethyl-nonanoyl-CoA" + - compartment: "m" + - formula: "C32H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00845m" + - name: "3-oxo-4-methyl-pentanoyl-CoA" + - compartment: "m" + - formula: "C27H40N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00846m" + - name: "3-oxo-5(S),12(R)-dihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00846p" + - name: "3-oxo-5(S),12(R)-dihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00847m" + - name: "3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate" + - compartment: "m" + - formula: "C14H23O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00848m" + - name: "3-oxo-6(S)-hydroxy-tetradec-(8Z)-enoate" + - compartment: "m" + - formula: "C14H23O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00849m" + - name: "3-oxo-7-hexadecenoyl-CoA" + - compartment: "m" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00849p" + - name: "3-oxo-7-hexadecenoyl-CoA" + - compartment: "p" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00850m" + - name: "3-oxo-8(R)-hydroxy-hexadeca-(6E,10Z)-dienoate" + - compartment: "m" + - formula: "C16H25O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00851m" + - name: "3-oxo-8(S)-hydroxy-hexadeca-(6E,10Z)-dienoate" + - compartment: "m" + - formula: "C16H25O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00852c" + - name: "3-oxo-9-cis-eicosenoyl-CoA" + - compartment: "c" + - formula: "C41H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00853p" + - name: "3-oxo-all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA" + - compartment: "p" + - formula: "C45H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00854m" + - name: "3-oxo-cis,cis-5,8-tetradecadienoyl-CoA" + - compartment: "m" + - formula: "C35H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00854p" + - name: "3-oxo-cis,cis-5,8-tetradecadienoyl-CoA" + - compartment: "p" + - formula: "C35H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00855m" + - name: "3-oxo-cis,cis-7,10-hexadecadienoyl-CoA" + - compartment: "m" + - formula: "C37H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00855p" + - name: "3-oxo-cis,cis-7,10-hexadecadienoyl-CoA" + - compartment: "p" + - formula: "C37H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00856c" + - name: "3-oxo-cis-15-tetracosaenoyl-CoA" + - compartment: "c" + - formula: "C45H74N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00856p" + - name: "3-oxo-cis-15-tetracosaenoyl-CoA" + - compartment: "p" + - formula: "C45H74N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00857c" + - name: "3-oxodecanoyl-[ACP]" + - compartment: "c" + - formula: "C21H37N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00858m" + - name: "3-oxodecanoyl-CoA" + - compartment: "m" + - formula: "C31H48N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00858p" + - name: "3-oxodecanoyl-CoA" + - compartment: "p" + - formula: "C31H48N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00859c" + - name: "3-oxo-dihomo-gamma-linolenoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00859m" + - name: "3-oxo-dihomo-gamma-linolenoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00859p" + - name: "3-oxo-dihomo-gamma-linolenoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00860c" + - name: "3-oxodocasa-cis,cis-13,16-dienoyl-CoA" + - compartment: "c" + - formula: "C43H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00861c" + - name: "3-oxo-docosa-10,13,16,19-all-cis-tetraenoyl-CoA" + - compartment: "c" + - formula: "C43H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00862c" + - name: "3-oxo-docosa-13,16,19-all-cis-trienoyl-CoA" + - compartment: "c" + - formula: "C43H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00863c" + - name: "3-oxo-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA" + - compartment: "c" + - formula: "C43H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00864c" + - name: "3-oxo-docosa-7,10,13,16-all-cis-tetraenoyl-CoA" + - compartment: "c" + - formula: "C43H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00865c" + - name: "3-oxo-docosa-cis,cis,cis-10,13,16-trienoyl-CoA" + - compartment: "c" + - formula: "C43H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00866c" + - name: "3-oxodocosanoyl-CoA" + - compartment: "c" + - formula: "C43H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00866m" + - name: "3-oxodocosanoyl-CoA" + - compartment: "m" + - formula: "C43H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00866p" + - name: "3-oxodocosanoyl-CoA" + - compartment: "p" + - formula: "C43H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00867c" + - name: "3-oxododecanoyl-[ACP]" + - compartment: "c" + - formula: "C23H41N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00868m" + - name: "3-oxododecanoyl-CoA" + - compartment: "m" + - formula: "C33H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00868p" + - name: "3-oxododecanoyl-CoA" + - compartment: "p" + - formula: "C33H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00869c" + - name: "3-oxoeicosa-cis,cis,cis-11,14,17-trienoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00870c" + - name: "3-oxoeicosa-cis,cis-11,14-dienoyl-CoA" + - compartment: "c" + - formula: "C41H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00871c" + - name: "3-oxo-eicosadienoyl-CoA" + - compartment: "c" + - formula: "C41H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00872c" + - name: "3-oxoeicosanoyl-CoA" + - compartment: "c" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00872m" + - name: "3-oxoeicosanoyl-CoA" + - compartment: "m" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00872p" + - name: "3-oxoeicosanoyl-CoA" + - compartment: "p" + - formula: "C41H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00873c" + - name: "3-oxoheneicosanoyl-CoA" + - compartment: "c" + - formula: "C42H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00873m" + - name: "3-oxoheneicosanoyl-CoA" + - compartment: "m" + - formula: "C42H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00874c" + - name: "3-oxoheptadecanoyl-[ACP]" + - compartment: "c" + - formula: "C28H51N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00875m" + - name: "3-oxoheptadecanoyl-CoA" + - compartment: "m" + - formula: "C38H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00876c" + - name: "3-oxoheptanoyl-[ACP]" + - compartment: "c" + - formula: "C18H31N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00877m" + - name: "3-oxoheptanoyl-CoA" + - compartment: "m" + - formula: "C28H42N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00878c" + - name: "3-oxohexacosanoyl-CoA" + - compartment: "c" + - formula: "C47H80N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00878p" + - name: "3-oxohexacosanoyl-CoA" + - compartment: "p" + - formula: "C47H80N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00879c" + - name: "3-oxo-hexacosenoyl-CoA" + - compartment: "c" + - formula: "C47H78N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00879p" + - name: "3-oxo-hexacosenoyl-CoA" + - compartment: "p" + - formula: "C47H78N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00880c" + - name: "3-oxohexadecanoyl-[ACP]" + - compartment: "c" + - formula: "C27H49N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00881c" + - name: "3-oxohexanoyl-[ACP]" + - compartment: "c" + - formula: "C17H29N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00882m" + - name: "3-oxohexanoyl-CoA" + - compartment: "m" + - formula: "C27H40N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00882p" + - name: "3-oxohexanoyl-CoA" + - compartment: "p" + - formula: "C27H40N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00883m" + - name: "3-oxolaur-6-cis-enoyl-CoA" + - compartment: "m" + - formula: "C33H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00883p" + - name: "3-oxolaur-6-cis-enoyl-CoA" + - compartment: "p" + - formula: "C33H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00884m" + - name: "3-oxolinoleoyl-CoA" + - compartment: "m" + - formula: "C39H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00884p" + - name: "3-oxolinoleoyl-CoA" + - compartment: "p" + - formula: "C39H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00885m" + - name: "3-oxomyrist-5-enoyl-CoA" + - compartment: "m" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00885p" + - name: "3-oxomyrist-5-enoyl-CoA" + - compartment: "p" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00886m" + - name: "3-oxomyrist-7-enoyl-CoA" + - compartment: "m" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00886p" + - name: "3-oxomyrist-7-enoyl-CoA" + - compartment: "p" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00887c" + - name: "3-oxononadecanoyl-CoA" + - compartment: "c" + - formula: "C40H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00887m" + - name: "3-oxononadecanoyl-CoA" + - compartment: "m" + - formula: "C40H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00888c" + - name: "3-oxononanoyl-[ACP]" + - compartment: "c" + - formula: "C20H35N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00889m" + - name: "3-oxononanoyl-CoA" + - compartment: "m" + - formula: "C30H46N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00890c" + - name: "3-oxooctadecanoyl-CoA" + - compartment: "c" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00890m" + - name: "3-oxooctadecanoyl-CoA" + - compartment: "m" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00890p" + - name: "3-oxooctadecanoyl-CoA" + - compartment: "p" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00891c" + - name: "3-oxooctanoyl-[ACP]" + - compartment: "c" + - formula: "C19H33N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00892m" + - name: "3-oxooctanoyl-CoA" + - compartment: "m" + - formula: "C29H44N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00892p" + - name: "3-oxooctanoyl-CoA" + - compartment: "p" + - formula: "C29H44N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00893m" + - name: "3-oxooleoyl-CoA" + - compartment: "m" + - formula: "C39H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00893p" + - name: "3-oxooleoyl-CoA" + - compartment: "p" + - formula: "C39H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00894m" + - name: "3-oxopalmitoleoyl-CoA" + - compartment: "m" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00894p" + - name: "3-oxopalmitoleoyl-CoA" + - compartment: "p" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00895m" + - name: "3-oxopalmitoyl-CoA" + - compartment: "m" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00895p" + - name: "3-oxopalmitoyl-CoA" + - compartment: "p" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00896c" + - name: "3-oxopentadecanoyl-[ACP]" + - compartment: "c" + - formula: "C26H47N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00897m" + - name: "3-oxopentadecanoyl-CoA" + - compartment: "m" + - formula: "C36H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00898c" + - name: "3-oxopentanoyl-[ACP]" + - compartment: "c" + - formula: "C16H27N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00899m" + - name: "3-oxopentanoyl-CoA" + - compartment: "m" + - formula: "C26H38N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00900m" + - name: "3-oxopropanoate" + - compartment: "m" + - formula: "C3H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00901c" + - name: "3-oxo-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA" + - compartment: "c" + - formula: "C45H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00902c" + - name: "3-oxo-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA" + - compartment: "c" + - formula: "C45H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00903c" + - name: "3-oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA" + - compartment: "c" + - formula: "C45H68N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00904c" + - name: "3-oxotetracosanoyl-CoA" + - compartment: "c" + - formula: "C45H76N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00904p" + - name: "3-oxotetracosanoyl-CoA" + - compartment: "p" + - formula: "C45H76N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00905c" + - name: "3-oxotetradecanoyl-[ACP]" + - compartment: "c" + - formula: "C25H45N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00906m" + - name: "3-oxotetradecanoyl-CoA" + - compartment: "m" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00906p" + - name: "3-oxotetradecanoyl-CoA" + - compartment: "p" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00907c" + - name: "3-oxotricosanoyl-CoA" + - compartment: "c" + - formula: "C44H74N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00908c" + - name: "3-oxotridecanoyl-[ACP]" + - compartment: "c" + - formula: "C24H43N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00909m" + - name: "3-oxotridecanoyl-CoA" + - compartment: "m" + - formula: "C34H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00910c" + - name: "3-oxoundecanoyl-[ACP]" + - compartment: "c" + - formula: "C22H39N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00911m" + - name: "3-oxoundecanoyl-CoA" + - compartment: "m" + - formula: "C32H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00912c" + - name: "3-phosphoadenylylselenate" + - compartment: "c" + - formula: "C10H11N5O13P2Se" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00913c" + - name: "3-phospho-D-glycerate" + - compartment: "c" + - formula: "C3H4O7P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00913m" + - name: "3-phospho-D-glycerate" + - compartment: "m" + - formula: "C3H4O7P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00914c" + - name: "3-phosphonooxypyruvate" + - compartment: "c" + - formula: "C3H2O7P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00915c" + - name: "3-phosphopolynucleotide" + - compartment: "c" + - formula: "C15H22O19P3R3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00916c" + - name: "3-phosphoserine" + - compartment: "c" + - formula: "C3H6NO6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00917c" + - name: "3-succinoylpyridine" + - compartment: "c" + - formula: "C9H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00918c" + - name: "3-sulfinoalanine" + - compartment: "c" + - formula: "C3H5NO4S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00918m" + - name: "3-sulfinoalanine" + - compartment: "m" + - formula: "C3H5NO4S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00919c" + - name: "3-sulfinylpyruvic acid" + - compartment: "c" + - formula: "C3H2O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00919m" + - name: "3-sulfinylpyruvic acid" + - compartment: "m" + - formula: "C3H2O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00920c" + - name: "3-sulfopyruvate" + - compartment: "c" + - formula: "C3H2O6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00920m" + - name: "3-sulfopyruvate" + - compartment: "m" + - formula: "C3H2O6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00922c" + - name: "3-ureidoisobutyrate" + - compartment: "c" + - formula: "C5H9N2O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00923c" + - name: "3-ureidopropionate" + - compartment: "c" + - formula: "C4H7N2O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00924c" + - name: "4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate" + - compartment: "c" + - formula: "C10H8NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00925c" + - name: "4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid-O-glucoside" + - compartment: "c" + - formula: "C16H20NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00926c" + - name: "4-(2-aminophenyl)-2,4-dioxobutanoate" + - compartment: "c" + - formula: "C10H8NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00927c" + - name: "4-(methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone" + - compartment: "c" + - formula: "C10H13N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00928c" + - name: "4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide" + - compartment: "c" + - formula: "C16H23N3O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00929c" + - name: "4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol" + - compartment: "c" + - formula: "C10H15N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00930c" + - name: "4-(methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol" + - compartment: "c" + - formula: "C10H15N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00931c" + - name: "4-(nitrosoamino)-1-(3-pyridinyl)-1-butanone" + - compartment: "c" + - formula: "C9H11N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00932c" + - name: "4-(n-nitrosomethylamino)-1-(3-pyridyl)-1-butanone" + - compartment: "c" + - formula: "C10H13N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00932s" + - name: "4-(n-nitrosomethylamino)-1-(3-pyridyl)-1-butanone" + - compartment: "s" + - formula: "C10H13N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00933c" + - name: "4(R),8-dimethyl-nonanoyl-CoA" + - compartment: "c" + - formula: "C32H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00933m" + - name: "4(R),8-dimethyl-nonanoyl-CoA" + - compartment: "m" + - formula: "C32H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00933p" + - name: "4(R),8-dimethyl-nonanoyl-CoA" + - compartment: "p" + - formula: "C32H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00934m" + - name: "4(R),8-dimethyl-trans-2-nonenoyl-CoA" + - compartment: "m" + - formula: "C32H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00935m" + - name: "4(R)-hydroxy-dodec-(6Z)-enoate" + - compartment: "m" + - formula: "C12H21O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00936m" + - name: "4(S)-hydroxy-dodec-(6Z)-enoate" + - compartment: "m" + - formula: "C12H21O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00941c" + - name: "4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol" + - compartment: "c" + - formula: "C29H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00942c" + - name: "4,4-dimethyl-5alpha-cholesta-8,14-dien-3-beta-ol" + - compartment: "c" + - formula: "C29H48O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00943c" + - name: "4,4-dimethyl-5alpha-cholesta-8-en-3-beta-ol" + - compartment: "c" + - formula: "C29H50O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00944c" + - name: "4,5-dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene" + - compartment: "c" + - formula: "C30H29N3O7S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00945c" + - name: "4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline" + - compartment: "c" + - formula: "C9H12NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00946c" + - name: "4,6-dideoxy-4-oxo-dTDP-D-glucose" + - compartment: "c" + - formula: "C16H22N2O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00947c" + - name: "4,6-dihydroxyquinoline" + - compartment: "c" + - formula: "C9H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00948p" + - name: "4,8,12-trimethyltridecanoyl-CoA" + - compartment: "p" + - formula: "C37H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00949c" + - name: "4,8-dihydroxyquinoline" + - compartment: "c" + - formula: "C9H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00950c" + - name: "4,8-dimethylnonanoylcarnitine" + - compartment: "c" + - formula: "C18H35NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00950m" + - name: "4,8-dimethylnonanoylcarnitine" + - compartment: "m" + - formula: "C18H35NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00951c" + - name: "4-[(hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone" + - compartment: "c" + - formula: "C10H13N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00952c" + - name: "4-acetamidobutanoate" + - compartment: "c" + - formula: "C6H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00953c" + - name: "4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol" + - compartment: "c" + - formula: "C29H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00954c" + - name: "4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol" + - compartment: "c" + - formula: "C29H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00955c" + - name: "4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol" + - compartment: "c" + - formula: "C28H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00956c" + - name: "4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol" + - compartment: "c" + - formula: "C28H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00957c" + - name: "4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol" + - compartment: "c" + - formula: "C29H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00958c" + - name: "4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol" + - compartment: "c" + - formula: "C29H48O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00959c" + - name: "4alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol" + - compartment: "c" + - formula: "C28H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00960c" + - name: "4alpha-formyl-5alpha-cholesta-8-en-3beta-ol" + - compartment: "c" + - formula: "C28H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00961c" + - name: "4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol" + - compartment: "c" + - formula: "C29H48O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00962c" + - name: "4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol" + - compartment: "c" + - formula: "C29H50O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00963c" + - name: "4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol" + - compartment: "c" + - formula: "C28H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00964c" + - name: "4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol" + - compartment: "c" + - formula: "C28H48O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00965c" + - name: "4alpha-hydroxytetrahydrobiopterin" + - compartment: "c" + - formula: "C9H15N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00965n" + - name: "4alpha-hydroxytetrahydrobiopterin" + - compartment: "n" + - formula: "C9H15N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00967c" + - name: "4alpha-methyl-cholesta-8-enol" + - compartment: "c" + - formula: "C28H48O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00968c" + - name: "4alpha-methylzymosterol" + - compartment: "c" + - formula: "C28H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00969c" + - name: "4-aminobutanal" + - compartment: "c" + - formula: "C4H10NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00969m" + - name: "4-aminobutanal" + - compartment: "m" + - formula: "C4H10NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00969s" + - name: "4-aminobutanal" + - compartment: "s" + - formula: "C4H10NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00970c" + - name: "4-aminobutyrate" + - compartment: "c" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00970l" + - name: "4-aminobutyrate" + - compartment: "l" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00970m" + - name: "4-aminobutyrate" + - compartment: "m" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00970s" + - name: "4-aminobutyrate" + - compartment: "s" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00971c" + - name: "4-androstene-3,17-dione" + - compartment: "c" + - formula: "C19H26O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00971r" + - name: "4-androstene-3,17-dione" + - compartment: "r" + - formula: "C19H26O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00972c" + - name: "4-bromo-3,5-cyclohexadiene-1,2-dione" + - compartment: "c" + - formula: "C6H3BrO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00973c" + - name: "4-bromocatechol" + - compartment: "c" + - formula: "C6H5BrO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00974c" + - name: "4-bromophenol" + - compartment: "c" + - formula: "C6H5BrO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00975c" + - name: "4-bromophenol-2,3-epoxide" + - compartment: "c" + - formula: "C6H5BrO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00976c" + - name: "4-cholesten-7alpha,12alpha,24(S)-triol-3-one" + - compartment: "c" + - formula: "C27H44O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00977c" + - name: "4-cholesten-7alpha,12alpha,27-triol-3-one" + - compartment: "c" + - formula: "C27H44O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00978c" + - name: "4-cholesten-7alpha,24(S)-diol-3-one" + - compartment: "c" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00979c" + - name: "4-cholesten-7alpha,27-diol-3-one" + - compartment: "c" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00980m" + - name: "4-cis-decenoyl-CoA" + - compartment: "m" + - formula: "C31H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00980p" + - name: "4-cis-decenoyl-CoA" + - compartment: "p" + - formula: "C31H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00981c" + - name: "4-coumarate" + - compartment: "c" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00982c" + - name: "4-coumaroyl-CoA" + - compartment: "c" + - formula: "C30H38N7O18P3S1" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00983c" + - name: "4-hydroperoxy-2-nonenal" + - compartment: "c" + - formula: "C9H16O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00984c" + - name: "4-hydroperoxy-H4-neuroprostane" + - compartment: "c" + - formula: "C22H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00985c" + - name: "4-hydroxy-1-(3-pyridinyl)-1-butanone" + - compartment: "c" + - formula: "C9H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00986c" + - name: "4-hydroxy-17beta-estradiol" + - compartment: "c" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00986l" + - name: "4-hydroxy-17beta-estradiol" + - compartment: "l" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00986r" + - name: "4-hydroxy-17beta-estradiol" + - compartment: "r" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00986s" + - name: "4-hydroxy-17beta-estradiol" + - compartment: "s" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00987c" + - name: "4-hydroxy-17beta-estradiol-2-S-glutathione" + - compartment: "c" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00987m" + - name: "4-hydroxy-17beta-estradiol-2-S-glutathione" + - compartment: "m" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00987p" + - name: "4-hydroxy-17beta-estradiol-2-S-glutathione" + - compartment: "p" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00987r" + - name: "4-hydroxy-17beta-estradiol-2-S-glutathione" + - compartment: "r" + - formula: "C28H38N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00988c" + - name: "4-hydroxy-2-nonenal" + - compartment: "c" + - formula: "C9H16O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00989m" + - name: "4-hydroxy-2-oxoglutarate" + - compartment: "m" + - formula: "C5H4O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00990c" + - name: "4-hydroxy-2-quinolinecarboxylic acid" + - compartment: "c" + - formula: "C10H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00991c" + - name: "4-hydroxy-3-nitrophenylacetate" + - compartment: "c" + - formula: "C8H5NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00992c" + - name: "4-hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone" + - compartment: "c" + - formula: "C10H13N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00993c" + - name: "4-hydroxy-all-trans-retinoate" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00993r" + - name: "4-hydroxy-all-trans-retinoate" + - compartment: "r" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00994c" + - name: "4-hydroxy-all-trans-retinyl-acetate" + - compartment: "c" + - formula: "C22H32O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00994r" + - name: "4-hydroxy-all-trans-retinyl-acetate" + - compartment: "r" + - formula: "C22H32O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00995c" + - name: "4-hydroxybenzoate" + - compartment: "c" + - formula: "C7H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00995m" + - name: "4-hydroxybenzoate" + - compartment: "m" + - formula: "C7H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00996c" + - name: "4-hydroxybenzoyl-CoA" + - compartment: "c" + - formula: "C28H36N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00997c" + - name: "4-hydroxy-D4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00998c" + - name: "4-hydroxy-debrisoquine" + - compartment: "c" + - formula: "C10H14N3O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00998s" + - name: "4-hydroxy-debrisoquine" + - compartment: "s" + - formula: "C10H14N3O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00999c" + - name: "4-hydroxy-E4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01000c" + - name: "4-hydroxyestrone" + - compartment: "c" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01000l" + - name: "4-hydroxyestrone" + - compartment: "l" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01000r" + - name: "4-hydroxyestrone" + - compartment: "r" + - formula: "C18H22O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01001c" + - name: "4-hydroxyestrone-2-S-glutathione" + - compartment: "c" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01001m" + - name: "4-hydroxyestrone-2-S-glutathione" + - compartment: "m" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01001p" + - name: "4-hydroxyestrone-2-S-glutathione" + - compartment: "p" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01001r" + - name: "4-hydroxyestrone-2-S-glutathione" + - compartment: "r" + - formula: "C28H36N3O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01002c" + - name: "4-hydroxyphenylacetaldehyde" + - compartment: "c" + - formula: "C8H8O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01003c" + - name: "4-hydroxyphenylacetate" + - compartment: "c" + - formula: "C8H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01003s" + - name: "4-hydroxyphenylacetate" + - compartment: "s" + - formula: "C8H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01004c" + - name: "4-hydroxyphenyllactate" + - compartment: "c" + - formula: "C9H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01005c" + - name: "4-hydroxyphenylpyruvate" + - compartment: "c" + - formula: "C9H7O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01005m" + - name: "4-hydroxyphenylpyruvate" + - compartment: "m" + - formula: "C9H7O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01006c" + - name: "4-hydroxyretinoic acid" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01006s" + - name: "4-hydroxyretinoic acid" + - compartment: "s" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01007c" + - name: "4-hydroxy-tolbutamide" + - compartment: "c" + - formula: "C12H18N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01007s" + - name: "4-hydroxy-tolbutamide" + - compartment: "s" + - formula: "C12H18N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01008c" + - name: "4-hydroxyvitamin A1" + - compartment: "c" + - formula: "C20H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01008r" + - name: "4-hydroxyvitamin A1" + - compartment: "r" + - formula: "C20H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01010c" + - name: "4-maleylacetoacetate" + - compartment: "c" + - formula: "C8H6O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01011c" + - name: "4-methoxy-17beta-estradiol" + - compartment: "c" + - formula: "C19H26O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01012c" + - name: "4-methoxyestrone" + - compartment: "c" + - formula: "C19H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01013c" + - name: "4-methyl-2-oxopentanoate" + - compartment: "c" + - formula: "C6H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01013m" + - name: "4-methyl-2-oxopentanoate" + - compartment: "m" + - formula: "C6H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01014c" + - name: "4-methylpentan-1-ol" + - compartment: "c" + - formula: "C6H14O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01015m" + - name: "4-methyl-pentanoyl-CoA" + - compartment: "m" + - formula: "C27H42N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01016c" + - name: "4-methylthio-2-oxobutanoic acid" + - compartment: "c" + - formula: "C5H7O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01017m" + - name: "4-methyl-trans-2-pentenoyl-CoA" + - compartment: "m" + - formula: "C27H40N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01018c" + - name: "4-N-(n-acetyl-D-glucosaminyl)-protein" + - compartment: "c" + - formula: "C13H20N4O8R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01019c" + - name: "4-nitrocatechol" + - compartment: "c" + - formula: "C6H5NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01019s" + - name: "4-nitrocatechol" + - compartment: "s" + - formula: "C6H5NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01020s" + - name: "4-nitrophenyl-phosphate" + - compartment: "s" + - formula: "C6H4NO6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01021c" + - name: "4-nitrophenyl-sulfate" + - compartment: "c" + - formula: "C6H4NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01021s" + - name: "4-nitrophenyl-sulfate" + - compartment: "s" + - formula: "C6H4NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01022c" + - name: "4-OH-13-cis-retinal" + - compartment: "c" + - formula: "C20H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01022r" + - name: "4-OH-13-cis-retinal" + - compartment: "r" + - formula: "C20H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01023c" + - name: "4-OH-9-cis-retinal" + - compartment: "c" + - formula: "C20H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01024c" + - name: "4-OH-retinal" + - compartment: "c" + - formula: "C20H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01024r" + - name: "4-OH-retinal" + - compartment: "r" + - formula: "C20H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01025c" + - name: "4-oxo-1-(3-pyridyl)-1-butanone" + - compartment: "c" + - formula: "C9H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01026c" + - name: "4-oxo-13-cis-retinoate" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01026r" + - name: "4-oxo-13-cis-retinoate" + - compartment: "r" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01027c" + - name: "4-oxo-2-nonenal" + - compartment: "c" + - formula: "C9H14O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01028c" + - name: "4-oxo-9-cis-retinal" + - compartment: "c" + - formula: "C20H26O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01028r" + - name: "4-oxo-9-cis-retinal" + - compartment: "r" + - formula: "C20H26O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01029c" + - name: "4-oxo-9-cis-retinoate" + - compartment: "c" + - formula: "C20H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01029r" + - name: "4-oxo-9-cis-retinoate" + - compartment: "r" + - formula: "C20H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01030c" + - name: "4-oxo-9-cis-retinoyl-beta-glucuronide" + - compartment: "c" + - formula: "C26H33O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01030r" + - name: "4-oxo-9-cis-retinoyl-beta-glucuronide" + - compartment: "r" + - formula: "C26H33O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01031c" + - name: "4-oxo-all-trans-retinoate" + - compartment: "c" + - formula: "C20H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01031r" + - name: "4-oxo-all-trans-retinoate" + - compartment: "r" + - formula: "C20H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01032c" + - name: "4-oxoretinol" + - compartment: "c" + - formula: "C20H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01033c" + - name: "4-pyridoxate" + - compartment: "c" + - formula: "C8H9NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01033s" + - name: "4-pyridoxate" + - compartment: "s" + - formula: "C8H9NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01034c" + - name: "4-trimethylammoniobutanal" + - compartment: "c" + - formula: "C7H16NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01035c" + - name: "5-(3-pyridyl)-2-hydroxytetrahydrofuran" + - compartment: "c" + - formula: "C9H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01036c" + - name: "5-(D-galactosyloxy)-L-lysine-procollagen" + - compartment: "c" + - formula: "C13H24N3O8R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01037m" + - name: "5(S),12(R)-dihydroxy-eicosa-2,8-trans-6,14-cis-tetraenoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01037p" + - name: "5(S),12(R)-dihydroxy-eicosa-2,8-trans-6,14-cis-tetraenoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01038c" + - name: "5(S),6(S)-epoxy-15(R)-HEPE" + - compartment: "c" + - formula: "C20H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01038n" + - name: "5(S),6(S)-epoxy-15(R)-HEPE" + - compartment: "n" + - formula: "C20H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01038p" + - name: "5(S),6(S)-epoxy-15(R)-HEPE" + - compartment: "p" + - formula: "C20H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01038r" + - name: "5(S),6(S)-epoxy-15(R)-HEPE" + - compartment: "r" + - formula: "C20H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01039c" + - name: "5(S)-HEPE" + - compartment: "c" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01039p" + - name: "5(S)-HEPE" + - compartment: "p" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01040c" + - name: "5(S)-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01040m" + - name: "5(S)-HETE" + - compartment: "m" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01040r" + - name: "5(S)-HETE" + - compartment: "r" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01041c" + - name: "5(S)-HpEPE" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01041n" + - name: "5(S)-HpEPE" + - compartment: "n" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01042c" + - name: "5(S)-HPETE" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01042m" + - name: "5(S)-HPETE" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01043c" + - name: "5-(S-L-cysteinyl)-dopaquinone" + - compartment: "c" + - formula: "C12H14N2O6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01044c" + - name: "5,10-methenyl-THF" + - compartment: "c" + - formula: "C20H20N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01044m" + - name: "5,10-methenyl-THF" + - compartment: "m" + - formula: "C20H20N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01045c" + - name: "5,10-methylene-THF" + - compartment: "c" + - formula: "C20H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01045m" + - name: "5,10-methylene-THF" + - compartment: "m" + - formula: "C20H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01046c" + - name: "5,12,18R-TriHEPE" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01047c" + - name: "5,12,20-TriHETE" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01048c" + - name: "5,12-DiHETE" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01049c" + - name: "5,12-dihydroxy-(6E)-LTB5" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01050c" + - name: "5,15-DiHETE" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01051c" + - name: "5,6-DHET" + - compartment: "c" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01052c" + - name: "5,6-Dihydrouracil" + - compartment: "c" + - formula: "C4H6N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01053c" + - name: "5,6-dihydroxyindole-2-carboxylate" + - compartment: "c" + - formula: "C9H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01054c" + - name: "5,6-EET" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01054r" + - name: "5,6-EET" + - compartment: "r" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01055c" + - name: "5,6-epoxy-(8Z)-tetradecenoic acid" + - compartment: "c" + - formula: "C14H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01056c" + - name: "5,6-epoxy,(18R)-HEPE" + - compartment: "c" + - formula: "C20H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01057c" + - name: "5,6-epoxy-13-cis-retinoate" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01057r" + - name: "5,6-epoxy-13-cis-retinoate" + - compartment: "r" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01058c" + - name: "5,6-epoxytetraene" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01058n" + - name: "5,6-epoxytetraene" + - compartment: "n" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01058p" + - name: "5,6-epoxytetraene" + - compartment: "p" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01058r" + - name: "5,6-epoxytetraene" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01059c" + - name: "5,6-indolequinone-2-carboxylate" + - compartment: "c" + - formula: "C9H4NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01060c" + - name: "5,8-epoxy-13-cis-retinoate" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01061c" + - name: "5,9,11-trihydroxyprosta-(6E,14Z)-dien-1-oate" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01062c" + - name: "5,9-cyclo-6,8,12-trihydroxy-(10E,14Z)-eicosadienoic acid" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01063c" + - name: "5,9-cyclo-6,8-cycloperoxy-12-hydroperoxy-(10E,14Z)-eicosadienoate" + - compartment: "c" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01064c" + - name: "5alpha-androstane-3,17-dione" + - compartment: "c" + - formula: "C19H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01064r" + - name: "5alpha-androstane-3,17-dione" + - compartment: "r" + - formula: "C19H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01065c" + - name: "5alpha-androstane-3alpha,17beta-diol" + - compartment: "c" + - formula: "C19H32O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01069c" + - name: "5-alpha-dihydrotestosterone" + - compartment: "c" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01069r" + - name: "5-alpha-dihydrotestosterone" + - compartment: "r" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01069s" + - name: "5-alpha-dihydrotestosterone" + - compartment: "s" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01070c" + - name: "5alpha-dihydrotestosterone-glucuronide" + - compartment: "c" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01070r" + - name: "5alpha-dihydrotestosterone-glucuronide" + - compartment: "r" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01070s" + - name: "5alpha-dihydrotestosterone-glucuronide" + - compartment: "s" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01071c" + - name: "5alpha-dihydrotestosterone-sulfate" + - compartment: "c" + - formula: "C19H29O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01071s" + - name: "5alpha-dihydrotestosterone-sulfate" + - compartment: "s" + - formula: "C19H29O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01072c" + - name: "5alpha-pregnane-3,20-dione" + - compartment: "c" + - formula: "C21H32O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01073p" + - name: "5-amino-2-oxopentanoic acid" + - compartment: "p" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01074c" + - name: "5-aminolevulinate" + - compartment: "c" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01074m" + - name: "5-aminolevulinate" + - compartment: "m" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01075c" + - name: "5-androstene-3,17-dione" + - compartment: "c" + - formula: "C19H26O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01075r" + - name: "5-androstene-3,17-dione" + - compartment: "r" + - formula: "C19H26O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01076m" + - name: "5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol" + - compartment: "m" + - formula: "C27H48O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01077c" + - name: "5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol" + - compartment: "c" + - formula: "C27H48O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01077m" + - name: "5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol" + - compartment: "m" + - formula: "C27H48O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01078c" + - name: "5beta-cholestan-3alpha,7alpha,12alpha-triol" + - compartment: "c" + - formula: "C27H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01078m" + - name: "5beta-cholestan-3alpha,7alpha,12alpha-triol" + - compartment: "m" + - formula: "C27H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01078r" + - name: "5beta-cholestan-3alpha,7alpha,12alpha-triol" + - compartment: "r" + - formula: "C27H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01079m" + - name: "5beta-cholestan-3alpha,7alpha,24(S),27-tetrol" + - compartment: "m" + - formula: "C27H48O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01080c" + - name: "5beta-cholestan-3alpha,7alpha,24(S)-triol" + - compartment: "c" + - formula: "C27H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01080m" + - name: "5beta-cholestan-3alpha,7alpha,24(S)-triol" + - compartment: "m" + - formula: "C27H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01081c" + - name: "5beta-cholestan-7alpha,12alpha,24(S)-triol-3-one" + - compartment: "c" + - formula: "C27H46O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01082c" + - name: "5beta-cholestan-7alpha,12alpha,27-triol-3-one" + - compartment: "c" + - formula: "C27H46O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01083c" + - name: "5beta-cholestan-7alpha,24(S)-diol-3-one" + - compartment: "c" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01084c" + - name: "5beta-cholestan-7alpha,27-diol-3-one" + - compartment: "c" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01085r" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol" + - compartment: "r" + - formula: "C27H48O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01086r" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,24r,25-pentol" + - compartment: "r" + - formula: "C27H48O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01087r" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,24s,25-pentol" + - compartment: "r" + - formula: "C27H48O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01088r" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,25,27-pentol" + - compartment: "r" + - formula: "C27H48O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01089r" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,25-tetrol" + - compartment: "r" + - formula: "C27H48O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01090c" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol" + - compartment: "c" + - formula: "C27H48O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01090m" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol" + - compartment: "m" + - formula: "C27H48O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01091c" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,27,27-pentaol" + - compartment: "c" + - formula: "C27H48O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01091m" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,27,27-pentaol" + - compartment: "m" + - formula: "C27H48O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01092c" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,27-tetraol" + - compartment: "c" + - formula: "C27H48O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01092m" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,27-tetraol" + - compartment: "m" + - formula: "C27H48O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01093c" + - name: "5beta-cholestane-3alpha,7alpha,26-triol" + - compartment: "c" + - formula: "C27H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01093m" + - name: "5beta-cholestane-3alpha,7alpha,26-triol" + - compartment: "m" + - formula: "C27H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01094m" + - name: "5beta-cholestane-3alpha,7alpha,27-triol" + - compartment: "m" + - formula: "C27H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01095c" + - name: "5beta-cholestane-3alpha,7alpha-diol" + - compartment: "c" + - formula: "C27H48O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01095m" + - name: "5beta-cholestane-3alpha,7alpha-diol" + - compartment: "m" + - formula: "C27H48O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01096m" + - name: "5-carboxy-alpha-chromanol" + - compartment: "m" + - formula: "C19H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01097c" + - name: "5-carboxy-gamma-chromanol" + - compartment: "c" + - formula: "C18H25O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01097m" + - name: "5-carboxy-gamma-chromanol" + - compartment: "m" + - formula: "C18H25O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01098c" + - name: "5-deoxyadenosine" + - compartment: "c" + - formula: "C10H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01098s" + - name: "5-deoxyadenosine" + - compartment: "s" + - formula: "C10H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01100c" + - name: "5-formyl-THF" + - compartment: "c" + - formula: "C20H21N7O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01100m" + - name: "5-formyl-THF" + - compartment: "m" + - formula: "C20H21N7O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01100s" + - name: "5-formyl-THF" + - compartment: "s" + - formula: "C20H21N7O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01101p" + - name: "5-guanidino-2-oxopentanoate" + - compartment: "p" + - formula: "C6H11N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01102c" + - name: "5-hydroxyindoleacetaldehyde" + - compartment: "c" + - formula: "C10H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01103c" + - name: "5-hydroxyindoleacetate" + - compartment: "c" + - formula: "C10H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01104c" + - name: "5-hydroxyisourate" + - compartment: "c" + - formula: "C5H4N4O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01105c" + - name: "5-hydroxykynurenamine" + - compartment: "c" + - formula: "C9H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01106c" + - name: "5-hydroxykynurenine" + - compartment: "c" + - formula: "C10H12N2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01107c" + - name: "5-hydroxy-L-tryptophan" + - compartment: "c" + - formula: "C11H12N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01107s" + - name: "5-hydroxy-L-tryptophan" + - compartment: "s" + - formula: "C11H12N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01109c" + - name: "5-hydroxy-omeprazole" + - compartment: "c" + - formula: "C17H19N3O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01109s" + - name: "5-hydroxy-omeprazole" + - compartment: "s" + - formula: "C17H19N3O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01110c" + - name: "5-hydroxytryptophol" + - compartment: "c" + - formula: "C10H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01111s" + - name: "5-L-gamma-glutamyl" + - compartment: "s" + - formula: "C5H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01112c" + - name: "5-methoxyindoleacetate" + - compartment: "c" + - formula: "C11H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01113c" + - name: "5-methoxytryptophol" + - compartment: "c" + - formula: "C11H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01114c" + - name: "5-methyltetrahydropteroyltri-L-glutamate" + - compartment: "c" + - formula: "C30H39N9O12" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01115c" + - name: "5-methyl-THF" + - compartment: "c" + - formula: "C20H24N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01115s" + - name: "5-methyl-THF" + - compartment: "s" + - formula: "C20H24N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01116c" + - name: "5-methylthioadenosine" + - compartment: "c" + - formula: "C11H15N5O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01117c" + - name: "5-nitro-gamma-tocopherol" + - compartment: "c" + - formula: "C28H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01118c" + - name: "5-oxo-(6E)-12-epi-LTB4" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01118m" + - name: "5-oxo-(6E)-12-epi-LTB4" + - compartment: "m" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01118p" + - name: "5-oxo-(6E)-12-epi-LTB4" + - compartment: "p" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01118r" + - name: "5-oxo-(6E)-12-epi-LTB4" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01119m" + - name: "5-oxo-12(R)-hydroxy-eicosa-(2E,8E,10E,14Z)-tetraenoyl-CoA" + - compartment: "m" + - formula: "C41H60N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01119p" + - name: "5-oxo-12(R)-hydroxy-eicosa-(2E,8E,10E,14Z)-tetraenoyl-CoA" + - compartment: "p" + - formula: "C41H60N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01120c" + - name: "5-oxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01120m" + - name: "5-oxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01120p" + - name: "5-oxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01120r" + - name: "5-oxo-12(R)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "r" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01121m" + - name: "5-oxo-12(S)-hydroxy-eicosa-(2E,8E,10E,14Z)-tetraenoyl-CoA" + - compartment: "m" + - formula: "C41H60N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01121p" + - name: "5-oxo-12(S)-hydroxy-eicosa-(2E,8E,10E,14Z)-tetraenoyl-CoA" + - compartment: "p" + - formula: "C41H60N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01122c" + - name: "5-oxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01122m" + - name: "5-oxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01122p" + - name: "5-oxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01122r" + - name: "5-oxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "r" + - formula: "C41H62N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01123c" + - name: "5-oxo-12-HETE" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01124c" + - name: "5-oxo-6-trans-LTB4" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01124m" + - name: "5-oxo-6-trans-LTB4" + - compartment: "m" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01124p" + - name: "5-oxo-6-trans-LTB4" + - compartment: "p" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01124r" + - name: "5-oxo-6-trans-LTB4" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01125c" + - name: "5-oxo-EPE" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01125p" + - name: "5-oxo-EPE" + - compartment: "p" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01126c" + - name: "5-oxo-ETE" + - compartment: "c" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01127c" + - name: "5-oxoproline" + - compartment: "c" + - formula: "C5H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01128c" + - name: "5-oxoprolyl-peptide" + - compartment: "c" + - formula: "C9H11N3O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01129c" + - name: "5-phosphopolynucleotide" + - compartment: "c" + - formula: "C15H22O19P3R3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01130c" + - name: "5-phosphoribosyl-4-carboxy-5-aminoimidazole" + - compartment: "c" + - formula: "C9H11N3O9P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01131c" + - name: "5-phosphoribosylamine" + - compartment: "c" + - formula: "C5H11NO7P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01132c" + - name: "5-phosphoribosylformylglycinamidine" + - compartment: "c" + - formula: "C8H15N3O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01133c" + - name: "5-pp-inspP5" + - compartment: "c" + - formula: "C6H6O27P7" + - charge: -13 + - inchis: "" + - !!omap + - id: "m01133n" + - name: "5-pp-inspP5" + - compartment: "n" + - formula: "C6H6O27P7" + - charge: -13 + - inchis: "" + - !!omap + - id: "m01134c" + - name: "5-S-cysteinyldopa" + - compartment: "c" + - formula: "C12H16N2O6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01135c" + - name: "5-S-glutathionyl-adrenochrome hydroquinone" + - compartment: "c" + - formula: "C19H25N4O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01136c" + - name: "5-S-glutathionyl-aminochrome reduced" + - compartment: "c" + - formula: "C18H23N4O8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01137c" + - name: "5-S-glutathionyl-dopachrome hydroquinone" + - compartment: "c" + - formula: "C19H22N4O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01138c" + - name: "5-S-glutathionyl-dopamine" + - compartment: "c" + - formula: "C18H26N4O8S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01139c" + - name: "5-S-glutathionyl-L-dopa" + - compartment: "c" + - formula: "C19H25N4O10S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01140c" + - name: "5-S-glutathionyl-noradrenochrome hydroquinone" + - compartment: "c" + - formula: "C18H23N4O9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01141c" + - name: "5-tetradecenoyl-CoA" + - compartment: "c" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01141m" + - name: "5-tetradecenoyl-CoA" + - compartment: "m" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01141p" + - name: "5-tetradecenoyl-CoA" + - compartment: "p" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01141r" + - name: "5-tetradecenoyl-CoA" + - compartment: "r" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01143c" + - name: "6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol" + - compartment: "c" + - formula: "C17H28NO17PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01143r" + - name: "6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol" + - compartment: "r" + - formula: "C17H28NO17PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01144m" + - name: "6(R)-hydroxy-tetradeca-(2E,4E,8Z)-trienoate" + - compartment: "m" + - formula: "C14H21O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01145m" + - name: "6(R)-hydroxy-tetradeca-(2E,8Z)-dienoate" + - compartment: "m" + - formula: "C14H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01146m" + - name: "6(R)-hydroxy-tetradeca-(4E,8Z)-dienoate" + - compartment: "m" + - formula: "C14H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01147m" + - name: "6(S)-hydroxy-tetradeca-(2E,4E,8Z)-trienoate" + - compartment: "m" + - formula: "C14H21O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01148m" + - name: "6(S)-hydroxy-tetradeca-(2E,8Z)-dienoate" + - compartment: "m" + - formula: "C14H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01149m" + - name: "6(S)-hydroxy-tetradeca-(4E,8Z)-dienoate" + - compartment: "m" + - formula: "C14H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01150c" + - name: "6,7-dihydro-12-epi-LTB4" + - compartment: "c" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01150m" + - name: "6,7-dihydro-12-epi-LTB4" + - compartment: "m" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01150p" + - name: "6,7-dihydro-12-epi-LTB4" + - compartment: "p" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01151c" + - name: "6,7-dihydro-5-oxo-12-epi-LTB4" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01151m" + - name: "6,7-dihydro-5-oxo-12-epi-LTB4" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01151p" + - name: "6,7-dihydro-5-oxo-12-epi-LTB4" + - compartment: "p" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01151r" + - name: "6,7-dihydro-5-oxo-12-epi-LTB4" + - compartment: "r" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01152c" + - name: "6,7-dihydro-5-oxo-LTB4" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01152m" + - name: "6,7-dihydro-5-oxo-LTB4" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01152p" + - name: "6,7-dihydro-5-oxo-LTB4" + - compartment: "p" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01152r" + - name: "6,7-dihydro-5-oxo-LTB4" + - compartment: "r" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01153c" + - name: "6,7-dihydro-LTB4" + - compartment: "c" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01153m" + - name: "6,7-dihydro-LTB4" + - compartment: "m" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01153p" + - name: "6,7-dihydro-LTB4" + - compartment: "p" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01153r" + - name: "6,7-dihydro-LTB4" + - compartment: "r" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01154c" + - name: "6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline" + - compartment: "c" + - formula: "C9H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01155c" + - name: "6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin" + - compartment: "c" + - formula: "C9H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01155n" + - name: "6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin" + - compartment: "n" + - formula: "C9H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01156c" + - name: "6-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione" + - compartment: "c" + - formula: "C17H18O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01157p" + - name: "6-amino-2-oxohexanoate" + - compartment: "p" + - formula: "C6H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01158c" + - name: "6beta-hydroxytestosterone" + - compartment: "c" + - formula: "C19H28O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01158r" + - name: "6beta-hydroxytestosterone" + - compartment: "r" + - formula: "C19H28O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01158s" + - name: "6beta-hydroxytestosterone" + - compartment: "s" + - formula: "C19H28O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01159c" + - name: "6-deoxy-L-galactose" + - compartment: "c" + - formula: "C6H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01159l" + - name: "6-deoxy-L-galactose" + - compartment: "l" + - formula: "C6H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01159s" + - name: "6-deoxy-L-galactose" + - compartment: "s" + - formula: "C6H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01160c" + - name: "6-hydroxy-1,2,3,4-tetrahydro-beta-carboline" + - compartment: "c" + - formula: "C11H13N2O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01161c" + - name: "6-hydroxymelatonin" + - compartment: "c" + - formula: "C13H16N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01162c" + - name: "6-hydroxymelatonin-sulfate" + - compartment: "c" + - formula: "C13H15N2O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01163c" + - name: "6-hydroxypaclitaxel" + - compartment: "c" + - formula: "C47H31NO15" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01163s" + - name: "6-hydroxypaclitaxel" + - compartment: "s" + - formula: "C47H31NO15" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01164c" + - name: "6-lactoyl-5,6,7,8-tetrahydropterin" + - compartment: "c" + - formula: "C9H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01165m" + - name: "6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol" + - compartment: "m" + - formula: "C58H90O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01167c" + - name: "6-oxo-prostaglandin E1" + - compartment: "c" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01168c" + - name: "6-oxo-prostaglandin F1alpha" + - compartment: "c" + - formula: "C20H33O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01168r" + - name: "6-oxo-prostaglandin F1alpha" + - compartment: "r" + - formula: "C20H33O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01169c" + - name: "6-phospho-D-gluconate" + - compartment: "c" + - formula: "C6H10O10P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01169r" + - name: "6-phospho-D-gluconate" + - compartment: "r" + - formula: "C6H10O10P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01170c" + - name: "6-pyruvoyltetrahydropterin" + - compartment: "c" + - formula: "C9H11N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01170n" + - name: "6-pyruvoyltetrahydropterin" + - compartment: "n" + - formula: "C9H11N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01171c" + - name: "6-trans-12-epi-LTB4" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01171m" + - name: "6-trans-12-epi-LTB4" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01171p" + - name: "6-trans-12-epi-LTB4" + - compartment: "p" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01172c" + - name: "6-trans-LTB4" + - compartment: "c" + - formula: "C20H31O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01172m" + - name: "6-trans-LTB4" + - compartment: "m" + - formula: "C20H31O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01172p" + - name: "6-trans-LTB4" + - compartment: "p" + - formula: "C20H31O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01173c" + - name: "7,12-dimethylbenz[a]anthracene 5,6-oxide" + - compartment: "c" + - formula: "C20H16O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01174c" + - name: "7,12-dimethylbenz[a]anthracene" + - compartment: "c" + - formula: "C20H16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01174s" + - name: "7,12-dimethylbenz[a]anthracene" + - compartment: "s" + - formula: "C20H16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01175c" + - name: "7,8-dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene" + - compartment: "c" + - formula: "C30H29N3O7S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01176c" + - name: "7,8-epoxy-(4Z,10Z)-hexadecadienoic acid" + - compartment: "c" + - formula: "C16H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01177c" + - name: "7alpha,12alpha-dihydroxy-5beta-cholestan-3-one" + - compartment: "c" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01178c" + - name: "7alpha,12alpha-dihydroxycholest-4-en-3-one" + - compartment: "c" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01178r" + - name: "7alpha,12alpha-dihydroxycholest-4-en-3-one" + - compartment: "r" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01179r" + - name: "7alpha,25-dihydroxy-4-cholesten-3-one" + - compartment: "r" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01180m" + - name: "7alpha-hydroxy-3-oxo-4-cholestenoic acid" + - compartment: "m" + - formula: "C27H41O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01181c" + - name: "7alpha-hydroxy-5beta-cholestan-3-one" + - compartment: "c" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01182c" + - name: "7alpha-hydroxycholest-4-en-3-one" + - compartment: "c" + - formula: "C27H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01182r" + - name: "7alpha-hydroxycholest-4-en-3-one" + - compartment: "r" + - formula: "C27H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01183r" + - name: "7alpha-hydroxycholesterol" + - compartment: "r" + - formula: "C27H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01185m" + - name: "7-carboxy-alpha-chromanol" + - compartment: "m" + - formula: "C21H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01186m" + - name: "7-carboxy-alpha-tocotrienol" + - compartment: "m" + - formula: "C21H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01187m" + - name: "7-carboxy-gamma-chromanol" + - compartment: "m" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01188m" + - name: "7-carboxy-gamma-tocotrienol" + - compartment: "m" + - formula: "C20H27O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01190c" + - name: "7-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01191c" + - name: "7-hexadecenoyl-CoA" + - compartment: "c" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01191m" + - name: "7-hexadecenoyl-CoA" + - compartment: "m" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01191p" + - name: "7-hexadecenoyl-CoA" + - compartment: "p" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01191r" + - name: "7-hexadecenoyl-CoA" + - compartment: "r" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01192c" + - name: "7-hydroperoxy-H4-neuroprostane" + - compartment: "c" + - formula: "C22H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01193c" + - name: "7-hydroxy-D4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01194c" + - name: "7-hydroxy-E4-neuroprostane" + - compartment: "c" + - formula: "C22H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01195c" + - name: "7-hydroxymethyl-12-methylbenz[a]anthracene sulfate" + - compartment: "c" + - formula: "C20H16O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01196c" + - name: "7-hydroxymethyl-12-methylbenz[a]anthracene" + - compartment: "c" + - formula: "C20H16O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01197c" + - name: "7-palmitoleic acid" + - compartment: "c" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01197l" + - name: "7-palmitoleic acid" + - compartment: "l" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01197r" + - name: "7-palmitoleic acid" + - compartment: "r" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01197s" + - name: "7-palmitoleic acid" + - compartment: "s" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01198c" + - name: "7-peroxy-docosahexaenoate" + - compartment: "c" + - formula: "C22H30O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01199m" + - name: "8(R)-hydroxy-hexadeca-(2E,4E,6E,10Z)-tetraenoate" + - compartment: "m" + - formula: "C16H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01200m" + - name: "8(R)-hydroxy-hexadeca-(2E,6E,10Z)-trienoate" + - compartment: "m" + - formula: "C16H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01201m" + - name: "8(R)-hydroxy-hexadeca-(4E,6E,10Z)-trienoate" + - compartment: "m" + - formula: "C16H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01202c" + - name: "8(S)-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01204m" + - name: "8(S)-hydroxy-hexadeca-(2E,4E,6E,10Z)-tetraenoate" + - compartment: "m" + - formula: "C16H23O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01205m" + - name: "8(S)-hydroxy-hexadeca-(2E,6E,10Z)-trienoate" + - compartment: "m" + - formula: "C16H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01206m" + - name: "8(S)-hydroxy-hexadeca-(4E,6E,10Z)-trienoate" + - compartment: "m" + - formula: "C16H25O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01207c" + - name: "8,11-eicosadienoic acid" + - compartment: "c" + - formula: "C20H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01207l" + - name: "8,11-eicosadienoic acid" + - compartment: "l" + - formula: "C20H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01207r" + - name: "8,11-eicosadienoic acid" + - compartment: "r" + - formula: "C20H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01207s" + - name: "8,11-eicosadienoic acid" + - compartment: "s" + - formula: "C20H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01208c" + - name: "8,9-DHET" + - compartment: "c" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01209c" + - name: "8,9-EET" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01209r" + - name: "8,9-EET" + - compartment: "r" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01210c" + - name: "8,9-epoxy-(5Z)-tetradecenoic acid" + - compartment: "c" + - formula: "C14H24O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01211c" + - name: "8alpha-hydroxy-gamma-tocopherone" + - compartment: "c" + - formula: "C28H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01212c" + - name: "8alpha-hydroxytocopherone" + - compartment: "c" + - formula: "C29H50O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01213c" + - name: "8-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01214c" + - name: "8-peroxy-(5Z,9E,11Z,14Z)-eicosatetraenoate" + - compartment: "c" + - formula: "C20H30O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01215c" + - name: "8-peroxy-docosahexaenoate" + - compartment: "c" + - formula: "C22H30O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01216c" + - name: "9(10)-EpOME" + - compartment: "c" + - formula: "C18H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01216r" + - name: "9(10)-EpOME" + - compartment: "r" + - formula: "C18H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01217c" + - name: "9(S)-HPODE" + - compartment: "c" + - formula: "C18H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01218c" + - name: "9,10-12,13-diepoxy-octadecanoate" + - compartment: "c" + - formula: "C18H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01219c" + - name: "9,10-epoxy-(6Z,12Z)-octadecadienoic acid" + - compartment: "c" + - formula: "C18H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01220c" + - name: "9,10-hydroxyoctadec-12(Z)-enoate" + - compartment: "c" + - formula: "C18H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01220r" + - name: "9,10-hydroxyoctadec-12(Z)-enoate" + - compartment: "r" + - formula: "C18H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01221c" + - name: "9,11,15-trihydroxyprosta-(5Z,13E)-dien-1-oate" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01222c" + - name: "9,11-cycloperoxy-15-hydroperoxy-(5Z,13E)-eicosadienoate" + - compartment: "c" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01223c" + - name: "9,11-cycloperoxy-5-hydroperoxy-(6E,14Z)-eicosadienoate" + - compartment: "c" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01224c" + - name: "9,13-cis-retinoate" + - compartment: "c" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01225m" + - name: "9-carboxy-alpha-chromanol" + - compartment: "m" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01226m" + - name: "9-carboxy-alpha-tocotrienol" + - compartment: "m" + - formula: "C24H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01227m" + - name: "9-carboxy-gamma-chromanol" + - compartment: "m" + - formula: "C23H35O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01228m" + - name: "9-carboxy-gamma-tocotrienol" + - compartment: "m" + - formula: "C23H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01229c" + - name: "9-cis-4-oxo-13,14-dihydro-retinoate" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01230c" + - name: "9-cis-retinal" + - compartment: "c" + - formula: "C20H28O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01230r" + - name: "9-cis-retinal" + - compartment: "r" + - formula: "C20H28O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01231c" + - name: "9-cis-retinoate" + - compartment: "c" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01231r" + - name: "9-cis-retinoate" + - compartment: "r" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01232c" + - name: "9-cis-retinol" + - compartment: "c" + - formula: "C20H30O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01233c" + - name: "9-cis-retinoyl-beta-D-glucuronide" + - compartment: "c" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01233r" + - name: "9-cis-retinoyl-beta-D-glucuronide" + - compartment: "r" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01234c" + - name: "9-deoxy-delta12-PGD2" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01235c" + - name: "9-eicosenoic acid" + - compartment: "c" + - formula: "C20H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01235l" + - name: "9-eicosenoic acid" + - compartment: "l" + - formula: "C20H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01235r" + - name: "9-eicosenoic acid" + - compartment: "r" + - formula: "C20H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01235s" + - name: "9-eicosenoic acid" + - compartment: "s" + - formula: "C20H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01236c" + - name: "9-eicosenoyl-CoA" + - compartment: "c" + - formula: "C41H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01236m" + - name: "9-eicosenoyl-CoA" + - compartment: "m" + - formula: "C41H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01236r" + - name: "9-eicosenoyl-CoA" + - compartment: "r" + - formula: "C41H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01237c" + - name: "9-heptadecenoyl-CoA" + - compartment: "c" + - formula: "C38H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01237m" + - name: "9-heptadecenoyl-CoA" + - compartment: "m" + - formula: "C38H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01237r" + - name: "9-heptadecenoyl-CoA" + - compartment: "r" + - formula: "C38H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01238c" + - name: "9-heptadecylenic acid" + - compartment: "c" + - formula: "C17H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01238l" + - name: "9-heptadecylenic acid" + - compartment: "l" + - formula: "C17H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01238r" + - name: "9-heptadecylenic acid" + - compartment: "r" + - formula: "C17H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01238s" + - name: "9-heptadecylenic acid" + - compartment: "s" + - formula: "C17H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01239c" + - name: "9-HETE" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01240c" + - name: "9-hydroxy-10-O-D-glucuronoside-(12Z)-octadecenoate" + - compartment: "c" + - formula: "C24H40O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01240r" + - name: "9-hydroxy-10-O-D-glucuronoside-(12Z)-octadecenoate" + - compartment: "r" + - formula: "C24H40O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01241c" + - name: "9-hydroxybenzo[a]pyrene" + - compartment: "c" + - formula: "C20H12O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01242c" + - name: "9-hydroxybenzo[a]pyrene-4,5-oxide" + - compartment: "c" + - formula: "C20H12O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01244c" + - name: "9-O-acetylated-GD3" + - compartment: "c" + - formula: "C54H90N3O29RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01244g" + - name: "9-O-acetylated-GD3" + - compartment: "g" + - formula: "C54H90N3O29RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01244s" + - name: "9-O-acetylated-GD3" + - compartment: "s" + - formula: "C54H90N3O29RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01245c" + - name: "9-O-acetylated-GT3" + - compartment: "c" + - formula: "C65H106N4O37RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01245g" + - name: "9-O-acetylated-GT3" + - compartment: "g" + - formula: "C65H106N4O37RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01245s" + - name: "9-O-acetylated-GT3" + - compartment: "s" + - formula: "C65H106N4O37RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01246c" + - name: "9-peroxy-(5Z,7E,11Z,14Z)-eicosatetraenoate" + - compartment: "c" + - formula: "C20H30O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01247c" + - name: "A2PE" + - compartment: "c" + - formula: "C47H62NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01248c" + - name: "A2PE-H2" + - compartment: "c" + - formula: "C47H64NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01249c" + - name: "acetaldehyde" + - compartment: "c" + - formula: "C2H4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01249m" + - name: "acetaldehyde" + - compartment: "m" + - formula: "C2H4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01249p" + - name: "acetaldehyde" + - compartment: "p" + - formula: "C2H4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01249r" + - name: "acetaldehyde" + - compartment: "r" + - formula: "C2H4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01249s" + - name: "acetaldehyde" + - compartment: "s" + - formula: "C2H4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01250c" + - name: "acetamidopropanal" + - compartment: "c" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01250p" + - name: "acetamidopropanal" + - compartment: "p" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01252c" + - name: "acetate" + - compartment: "c" + - formula: "C2H3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01252g" + - name: "acetate" + - compartment: "g" + - formula: "C2H3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01252m" + - name: "acetate" + - compartment: "m" + - formula: "C2H3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01252p" + - name: "acetate" + - compartment: "p" + - formula: "C2H3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01252r" + - name: "acetate" + - compartment: "r" + - formula: "C2H3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01252s" + - name: "acetate" + - compartment: "s" + - formula: "C2H3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01253c" + - name: "acetoacetate" + - compartment: "c" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01253m" + - name: "acetoacetate" + - compartment: "m" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01253s" + - name: "acetoacetate" + - compartment: "s" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01254c" + - name: "acetoacetyl-[ACP]" + - compartment: "c" + - formula: "C15H25N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01255c" + - name: "acetoacetyl-CoA" + - compartment: "c" + - formula: "C25H36N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01255m" + - name: "acetoacetyl-CoA" + - compartment: "m" + - formula: "C25H36N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01255p" + - name: "acetoacetyl-CoA" + - compartment: "p" + - formula: "C25H36N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01256c" + - name: "acetone" + - compartment: "c" + - formula: "C3H6O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01256m" + - name: "acetone" + - compartment: "m" + - formula: "C3H6O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01256s" + - name: "acetone" + - compartment: "s" + - formula: "C3H6O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01257c" + - name: "acetyl adenylate" + - compartment: "c" + - formula: "C12H15N5O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01258c" + - name: "acetyl-[ACP]" + - compartment: "c" + - formula: "C13H23N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01259c" + - name: "acetylcarnosine" + - compartment: "c" + - formula: "C11H15N4O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01260c" + - name: "acetylcholine" + - compartment: "c" + - formula: "C7H16NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01260n" + - name: "acetylcholine" + - compartment: "n" + - formula: "C7H16NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01260s" + - name: "acetylcholine" + - compartment: "s" + - formula: "C7H16NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01261c" + - name: "acetyl-CoA" + - compartment: "c" + - formula: "C23H34N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01261g" + - name: "acetyl-CoA" + - compartment: "g" + - formula: "C23H34N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01261m" + - name: "acetyl-CoA" + - compartment: "m" + - formula: "C23H34N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01261n" + - name: "acetyl-CoA" + - compartment: "n" + - formula: "C23H34N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01261p" + - name: "acetyl-CoA" + - compartment: "p" + - formula: "C23H34N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01261r" + - name: "acetyl-CoA" + - compartment: "r" + - formula: "C23H34N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01262g" + - name: "acgalfuc12gal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C58H102N3O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01263g" + - name: "acgalfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C72H125N4O41RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01264g" + - name: "acngalacglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C56H95N3O31R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01265m" + - name: "acrylyl-CoA" + - compartment: "m" + - formula: "C24H34N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01266c" + - name: "activated methyl group" + - compartment: "c" + - formula: "CH3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01267c" + - name: "activated sulphur" + - compartment: "c" + - formula: "S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01268c" + - name: "activation-ppara" + - compartment: "c" + - formula: "C2303H3655N619O695S34R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01268m" + - name: "activation-ppara" + - compartment: "m" + - formula: "C2303H3655N619O695S34R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01268n" + - name: "activation-ppara" + - compartment: "n" + - formula: "C2303H3655N619O695S34R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01268p" + - name: "activation-ppara" + - compartment: "p" + - formula: "C2303H3655N619O695S34R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01268r" + - name: "activation-ppara" + - compartment: "r" + - formula: "C2303H3655N619O695S34R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01268s" + - name: "activation-ppara" + - compartment: "s" + - formula: "C2303H3655N619O695S34R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01269c" + - name: "acyl-CoA-bile-PC pool" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01270c" + - name: "acyl-CoA-CL pool (liver tissue)" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01271c" + - name: "acyl-CoA-LD-PC pool (liver tissue)" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01272c" + - name: "acyl-CoA-LD-PE pool (liver tissue)" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01273c" + - name: "acyl-CoA-LD-PI pool (liver tissue)" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01274c" + - name: "acyl-CoA-LD-PS pool (liver tissue)" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01275c" + - name: "acyl-CoA-LD-SM pool (liver tissue)" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01276c" + - name: "acyl-CoA-LD-TG2 pool (liver tissue)" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01277c" + - name: "acyl-CoA-LD-TG3 pool (liver tissue)" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01278c" + - name: "acylglycerone-phosphate" + - compartment: "c" + - formula: "C3H4O6PRCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01278p" + - name: "acylglycerone-phosphate" + - compartment: "p" + - formula: "C3H4O6PRCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01279c" + - name: "adenine" + - compartment: "c" + - formula: "C5H5N5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01279l" + - name: "adenine" + - compartment: "l" + - formula: "C5H5N5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01279s" + - name: "adenine" + - compartment: "s" + - formula: "C5H5N5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01280c" + - name: "adenosine" + - compartment: "c" + - formula: "C10H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01280l" + - name: "adenosine" + - compartment: "l" + - formula: "C10H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01280m" + - name: "adenosine" + - compartment: "m" + - formula: "C10H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01280s" + - name: "adenosine" + - compartment: "s" + - formula: "C10H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01281c" + - name: "adenylated molybdopterin" + - compartment: "c" + - formula: "C20H24N10O12P2S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01282c" + - name: "adenylosuccinate" + - compartment: "c" + - formula: "C14H14N5O11P" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01283c" + - name: "adenylyl sulfate" + - compartment: "c" + - formula: "C10H12N5O10PS" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01284c" + - name: "adenylylselenate" + - compartment: "c" + - formula: "C10H12N5O10PSe" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01285c" + - name: "ADP" + - compartment: "c" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01285g" + - name: "ADP" + - compartment: "g" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01285l" + - name: "ADP" + - compartment: "l" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01285m" + - name: "ADP" + - compartment: "m" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01285n" + - name: "ADP" + - compartment: "n" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01285p" + - name: "ADP" + - compartment: "p" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01285r" + - name: "ADP" + - compartment: "r" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01285s" + - name: "ADP" + - compartment: "s" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01286c" + - name: "ADP-glucose" + - compartment: "c" + - formula: "C16H23N5O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01286s" + - name: "ADP-glucose" + - compartment: "s" + - formula: "C16H23N5O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01287c" + - name: "ADP-mannose" + - compartment: "c" + - formula: "C16H23N5O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01287s" + - name: "ADP-mannose" + - compartment: "s" + - formula: "C16H23N5O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01288c" + - name: "ADP-ribose" + - compartment: "c" + - formula: "C15H21N5O14P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01288s" + - name: "ADP-ribose" + - compartment: "s" + - formula: "C15H21N5O14P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01289c" + - name: "ADP-ribose-2-phosphate" + - compartment: "c" + - formula: "C15H20N5O17P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01289s" + - name: "ADP-ribose-2-phosphate" + - compartment: "s" + - formula: "C15H20N5O17P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01290c" + - name: "adrenaline" + - compartment: "c" + - formula: "C9H14NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01290s" + - name: "adrenaline" + - compartment: "s" + - formula: "C9H14NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01291c" + - name: "adrenic acid" + - compartment: "c" + - formula: "C22H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01291l" + - name: "adrenic acid" + - compartment: "l" + - formula: "C22H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01291r" + - name: "adrenic acid" + - compartment: "r" + - formula: "C22H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01291s" + - name: "adrenic acid" + - compartment: "s" + - formula: "C22H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01292c" + - name: "adrenochrome" + - compartment: "c" + - formula: "C9H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01294c" + - name: "aflatoxin B1 dialdehyde" + - compartment: "c" + - formula: "C17H13O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01295c" + - name: "aflatoxin B1 diol" + - compartment: "c" + - formula: "C17H14O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01296c" + - name: "aflatoxin B1" + - compartment: "c" + - formula: "C17H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01296s" + - name: "aflatoxin B1" + - compartment: "s" + - formula: "C17H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01297c" + - name: "aflatoxin B1-endo-8,9-epoxide" + - compartment: "c" + - formula: "C17H12O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01298c" + - name: "aflatoxin B1-exo-8,9-epoxide" + - compartment: "c" + - formula: "C17H12O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01298s" + - name: "aflatoxin B1-exo-8,9-epoxide" + - compartment: "s" + - formula: "C17H12O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01299c" + - name: "aflatoxin B1-exo-8,9-epoxide-GSH" + - compartment: "c" + - formula: "C27H29N3O13S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01300c" + - name: "aflatoxin M1" + - compartment: "c" + - formula: "C17H12O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01301c" + - name: "aflatoxin M1-8,9-epoxide" + - compartment: "c" + - formula: "C17H12O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01302c" + - name: "aflatoxin Q1" + - compartment: "c" + - formula: "C17H12O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01303c" + - name: "agmatine" + - compartment: "c" + - formula: "C5H16N4" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01303m" + - name: "agmatine" + - compartment: "m" + - formula: "C5H16N4" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01303s" + - name: "agmatine" + - compartment: "s" + - formula: "C5H16N4" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01304c" + - name: "AICAR" + - compartment: "c" + - formula: "C9H13N4O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01305c" + - name: "AIR" + - compartment: "c" + - formula: "C8H12N3O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01306c" + - name: "AKG" + - compartment: "c" + - formula: "C5H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01306m" + - name: "AKG" + - compartment: "m" + - formula: "C5H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01306p" + - name: "AKG" + - compartment: "p" + - formula: "C5H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01306s" + - name: "AKG" + - compartment: "s" + - formula: "C5H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01307c" + - name: "alanine" + - compartment: "c" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01307l" + - name: "alanine" + - compartment: "l" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01307m" + - name: "alanine" + - compartment: "m" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01307p" + - name: "alanine" + - compartment: "p" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01307s" + - name: "alanine" + - compartment: "s" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01308c" + - name: "albumin" + - compartment: "c" + - formula: "C3076H4833N821O919S42" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01308l" + - name: "albumin" + - compartment: "l" + - formula: "C3076H4833N821O919S42" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01308s" + - name: "albumin" + - compartment: "s" + - formula: "C3076H4833N821O919S42" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01309c" + - name: "aldosterone" + - compartment: "c" + - formula: "C21H28O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01309m" + - name: "aldosterone" + - compartment: "m" + - formula: "C21H28O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01309s" + - name: "aldosterone" + - compartment: "s" + - formula: "C21H28O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01310c" + - name: "alkylamine" + - compartment: "c" + - formula: "H3NR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01311c" + - name: "alkyl-glycerone-3-phosphate" + - compartment: "c" + - formula: "C3H4O6PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01311p" + - name: "alkyl-glycerone-3-phosphate" + - compartment: "p" + - formula: "C3H4O6PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01312c" + - name: "allantoate" + - compartment: "c" + - formula: "C4H7N4O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01313c" + - name: "allantoin" + - compartment: "c" + - formula: "C4H6N4O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01314c" + - name: "allopregnanolone" + - compartment: "c" + - formula: "C21H34O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01315c" + - name: "alloxan" + - compartment: "c" + - formula: "C4N2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01315s" + - name: "alloxan" + - compartment: "s" + - formula: "C4N2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01316c" + - name: "all-trans-decaprenyl-diphosphate" + - compartment: "c" + - formula: "C50H81O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01316m" + - name: "all-trans-decaprenyl-diphosphate" + - compartment: "m" + - formula: "C50H81O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01317c" + - name: "alpha tubulin" + - compartment: "c" + - formula: "C13H15N3O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01319c" + - name: "alpha-[3-(nitrosoamino)propyl]-3-pyridinemethanol" + - compartment: "c" + - formula: "C9H13N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01320c" + - name: "alpha-[3-[(hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol" + - compartment: "c" + - formula: "C10H15N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01321c" + - name: "alpha-CEHC-glucuronide" + - compartment: "c" + - formula: "C22H29O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01322c" + - name: "alpha-D-galactose-1-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01323c" + - name: "alpha-D-mannosyl-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" + - compartment: "c" + - formula: "C128H210N2O27P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01324c" + - name: "alpha-GalNAc-globoside" + - compartment: "c" + - formula: "C52H92N3O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01324g" + - name: "alpha-GalNAc-globoside" + - compartment: "g" + - formula: "C52H92N3O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01324l" + - name: "alpha-GalNAc-globoside" + - compartment: "l" + - formula: "C52H92N3O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01325c" + - name: "alpha-hydroxyisocaproic acid" + - compartment: "c" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01326c" + - name: "alpha-pinene-oxide" + - compartment: "c" + - formula: "C10H16O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01326s" + - name: "alpha-pinene-oxide" + - compartment: "s" + - formula: "C10H16O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01327c" + - name: "alpha-tocopherol" + - compartment: "c" + - formula: "C29H50O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01327r" + - name: "alpha-tocopherol" + - compartment: "r" + - formula: "C29H50O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01327s" + - name: "alpha-tocopherol" + - compartment: "s" + - formula: "C29H50O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01328c" + - name: "alpha-tocopheryl hydroquinone" + - compartment: "c" + - formula: "C29H52O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01329c" + - name: "alpha-tocopheryl quinone" + - compartment: "c" + - formula: "C29H50O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01330c" + - name: "alpha-tocotrienol" + - compartment: "c" + - formula: "C29H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01330r" + - name: "alpha-tocotrienol" + - compartment: "r" + - formula: "C29H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01330s" + - name: "alpha-tocotrienol" + - compartment: "s" + - formula: "C29H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01331c" + - name: "alpha-tocotrienoxyl radical" + - compartment: "c" + - formula: "C29H43O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01332c" + - name: "aminoacetone" + - compartment: "c" + - formula: "C3H8NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01332m" + - name: "aminoacetone" + - compartment: "m" + - formula: "C3H8NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01334c" + - name: "AMP" + - compartment: "c" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01334g" + - name: "AMP" + - compartment: "g" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01334l" + - name: "AMP" + - compartment: "l" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01334m" + - name: "AMP" + - compartment: "m" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01334n" + - name: "AMP" + - compartment: "n" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01334p" + - name: "AMP" + - compartment: "p" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01334r" + - name: "AMP" + - compartment: "r" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01334s" + - name: "AMP" + - compartment: "s" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01335c" + - name: "anandamide" + - compartment: "c" + - formula: "C22H37NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01336c" + - name: "androstenediol" + - compartment: "c" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01336r" + - name: "androstenediol" + - compartment: "r" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01337c" + - name: "androsterone sulfate" + - compartment: "c" + - formula: "C19H29O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01338c" + - name: "androsterone" + - compartment: "c" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01338r" + - name: "androsterone" + - compartment: "r" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01338s" + - name: "androsterone" + - compartment: "s" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01339c" + - name: "androsterone-glucuronide" + - compartment: "c" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01339r" + - name: "androsterone-glucuronide" + - compartment: "r" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01339s" + - name: "androsterone-glucuronide" + - compartment: "s" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01340c" + - name: "anhydroretinol" + - compartment: "c" + - formula: "C20H28" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01342c" + - name: "anthranilate" + - compartment: "c" + - formula: "C7H6NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01343c" + - name: "antichymotrypsin" + - compartment: "c" + - formula: "C2144H3392N554O636S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01343l" + - name: "antichymotrypsin" + - compartment: "l" + - formula: "C2144H3392N554O636S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01343s" + - name: "antichymotrypsin" + - compartment: "s" + - formula: "C2144H3392N554O636S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01344c" + - name: "antipyrine" + - compartment: "c" + - formula: "C11H12N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01344s" + - name: "antipyrine" + - compartment: "s" + - formula: "C11H12N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01345c" + - name: "antitrypsin" + - compartment: "c" + - formula: "C2112H3313N539O629S13" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01345l" + - name: "antitrypsin" + - compartment: "l" + - formula: "C2112H3313N539O629S13" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01345s" + - name: "antitrypsin" + - compartment: "s" + - formula: "C2112H3313N539O629S13" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01346c" + - name: "APE" + - compartment: "c" + - formula: "C27H37NO8PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01347c" + - name: "apelin-(1-12)" + - compartment: "c" + - formula: "C60H105N22O15S" + - charge: 3 + - inchis: "" + - !!omap + - id: "m01348c" + - name: "apelin-13" + - compartment: "c" + - formula: "C69H114N23O16S" + - charge: 3 + - inchis: "" + - !!omap + - id: "m01349c" + - name: "apo-[ACP]" + - compartment: "c" + - formula: "HOR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01350c" + - name: "apoA1" + - compartment: "c" + - formula: "C1367H2173N381O419S4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01350l" + - name: "apoA1" + - compartment: "l" + - formula: "C1367H2173N381O419S4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01350r" + - name: "apoA1" + - compartment: "r" + - formula: "C1367H2173N381O419S4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01350s" + - name: "apoA1" + - compartment: "s" + - formula: "C1367H2173N381O419S4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01351c" + - name: "apoB100" + - compartment: "c" + - formula: "C23182H36564N6112O6944S104" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01351l" + - name: "apoB100" + - compartment: "l" + - formula: "C23182H36564N6112O6944S104" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01351r" + - name: "apoB100" + - compartment: "r" + - formula: "C23182H36564N6112O6944S104" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01352l" + - name: "apoB48" + - compartment: "l" + - formula: "C23203H36592N6110O6947S103" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01353c" + - name: "apoC1" + - compartment: "c" + - formula: "C421H695N109O124S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01353r" + - name: "apoC1" + - compartment: "r" + - formula: "C421H695N109O124S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01354c" + - name: "apoC2" + - compartment: "c" + - formula: "C509H801N123O159S3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01354r" + - name: "apoC2" + - compartment: "r" + - formula: "C509H801N123O159S3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01355c" + - name: "apoC3" + - compartment: "c" + - formula: "C484H760N128O149S3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01355r" + - name: "apoC3" + - compartment: "r" + - formula: "C484H760N128O149S3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01356c" + - name: "apoC-lys" + - compartment: "c" + - formula: "C6H13N2OX" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01356s" + - name: "apoC-lys" + - compartment: "s" + - formula: "C6H13N2OX" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01357c" + - name: "apoC-lys_btn" + - compartment: "c" + - formula: "C16H27N4O3SX" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01358c" + - name: "apocytochrome-C" + - compartment: "c" + - formula: "C1578H2483N443O445S20" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01358l" + - name: "apocytochrome-C" + - compartment: "l" + - formula: "C1578H2483N443O445S20" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01358m" + - name: "apocytochrome-C" + - compartment: "m" + - formula: "C1578H2483N443O445S20" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01359c" + - name: "apoE" + - compartment: "c" + - formula: "C1569H2559N477O483S10" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01359l" + - name: "apoE" + - compartment: "l" + - formula: "C1569H2559N477O483S10" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01359r" + - name: "apoE" + - compartment: "r" + - formula: "C1569H2559N477O483S10" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01361c" + - name: "aquacob(III)alamin" + - compartment: "c" + - formula: "C62H90CoN13O15P" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01361s" + - name: "aquacob(III)alamin" + - compartment: "s" + - formula: "C62H90CoN13O15P" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01362c" + - name: "arachidonate" + - compartment: "c" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01362l" + - name: "arachidonate" + - compartment: "l" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01362n" + - name: "arachidonate" + - compartment: "n" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01362p" + - name: "arachidonate" + - compartment: "p" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01362r" + - name: "arachidonate" + - compartment: "r" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01362s" + - name: "arachidonate" + - compartment: "s" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01363c" + - name: "arachidonyl-carnitine" + - compartment: "c" + - formula: "C27H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01363m" + - name: "arachidonyl-carnitine" + - compartment: "m" + - formula: "C27H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01363r" + - name: "arachidonyl-carnitine" + - compartment: "r" + - formula: "C27H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01364c" + - name: "arachidonyl-CoA" + - compartment: "c" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01364m" + - name: "arachidonyl-CoA" + - compartment: "m" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01364p" + - name: "arachidonyl-CoA" + - compartment: "p" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01364r" + - name: "arachidonyl-CoA" + - compartment: "r" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01365c" + - name: "arginine" + - compartment: "c" + - formula: "C6H15N4O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01365l" + - name: "arginine" + - compartment: "l" + - formula: "C6H15N4O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01365m" + - name: "arginine" + - compartment: "m" + - formula: "C6H15N4O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01365s" + - name: "arginine" + - compartment: "s" + - formula: "C6H15N4O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01366c" + - name: "argininosuccinate" + - compartment: "c" + - formula: "C10H17N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01368c" + - name: "ascorbate" + - compartment: "c" + - formula: "C6H7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01368s" + - name: "ascorbate" + - compartment: "s" + - formula: "C6H7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01369c" + - name: "asparagine" + - compartment: "c" + - formula: "C4H8N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01369l" + - name: "asparagine" + - compartment: "l" + - formula: "C4H8N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01369m" + - name: "asparagine" + - compartment: "m" + - formula: "C4H8N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01369s" + - name: "asparagine" + - compartment: "s" + - formula: "C4H8N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01370c" + - name: "aspartate" + - compartment: "c" + - formula: "C4H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01370l" + - name: "aspartate" + - compartment: "l" + - formula: "C4H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01370m" + - name: "aspartate" + - compartment: "m" + - formula: "C4H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01370s" + - name: "aspartate" + - compartment: "s" + - formula: "C4H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01371c" + - name: "ATP" + - compartment: "c" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01371g" + - name: "ATP" + - compartment: "g" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01371l" + - name: "ATP" + - compartment: "l" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01371m" + - name: "ATP" + - compartment: "m" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01371n" + - name: "ATP" + - compartment: "n" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01371p" + - name: "ATP" + - compartment: "p" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01371r" + - name: "ATP" + - compartment: "r" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01371s" + - name: "ATP" + - compartment: "s" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01372c" + - name: "azelaic acid" + - compartment: "c" + - formula: "C9H14O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01373c" + - name: "behenic acid" + - compartment: "c" + - formula: "C22H43O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01373l" + - name: "behenic acid" + - compartment: "l" + - formula: "C22H43O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01373r" + - name: "behenic acid" + - compartment: "r" + - formula: "C22H43O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01373s" + - name: "behenic acid" + - compartment: "s" + - formula: "C22H43O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01374c" + - name: "benzo[a]pyrene" + - compartment: "c" + - formula: "C20H12" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01374s" + - name: "benzo[a]pyrene" + - compartment: "s" + - formula: "C20H12" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01375c" + - name: "benzo[a]pyrene-4,5-oxide" + - compartment: "c" + - formula: "C20H12O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01376c" + - name: "benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide" + - compartment: "c" + - formula: "C20H14O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01377c" + - name: "benzo[a]pyrene-7,8-diol" + - compartment: "c" + - formula: "C20H14O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01378c" + - name: "benzo[a]pyrene-7,8-oxide" + - compartment: "c" + - formula: "C20H12O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01379c" + - name: "benzo[a]pyrene-9,10-oxide" + - compartment: "c" + - formula: "C20H12O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01380c" + - name: "benzoate" + - compartment: "c" + - formula: "C7H5O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01380r" + - name: "benzoate" + - compartment: "r" + - formula: "C7H5O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01381c" + - name: "benzothiazine" + - compartment: "c" + - formula: "C11H12N2O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01382l" + - name: "beta-1,4-mannose-N-acetylglucosamine" + - compartment: "l" + - formula: "C14H25NO11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01383c" + - name: "beta-alanine" + - compartment: "c" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01383m" + - name: "beta-alanine" + - compartment: "m" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01383s" + - name: "beta-alanine" + - compartment: "s" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01384c" + - name: "beta-carboline" + - compartment: "c" + - formula: "C11H8N2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01385c" + - name: "beta-carotene" + - compartment: "c" + - formula: "C40H56" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01385s" + - name: "beta-carotene" + - compartment: "s" + - formula: "C40H56" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01386c" + - name: "beta-casomorphin (1-6)" + - compartment: "c" + - formula: "C38H49N6O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01387c" + - name: "beta-casomorphin" + - compartment: "c" + - formula: "C44H60N7O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01388c" + - name: "beta-D-glucose" + - compartment: "c" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01389c" + - name: "beta-D-glucose-6-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01390c" + - name: "beta-D-mannosyldiacetylchitobiosyldiphosphodolichol" + - compartment: "c" + - formula: "C122H200N2O22P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01391c" + - name: "beta-GalNAc-globoside" + - compartment: "c" + - formula: "C52H92N3O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01391g" + - name: "beta-GalNAc-globoside" + - compartment: "g" + - formula: "C52H92N3O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01391l" + - name: "beta-GalNAc-globoside" + - compartment: "l" + - formula: "C52H92N3O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01392c" + - name: "beta-hydroxy-beta-methylbutyrate" + - compartment: "c" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01393c" + - name: "betaine" + - compartment: "c" + - formula: "C5H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01393m" + - name: "betaine" + - compartment: "m" + - formula: "C5H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01393s" + - name: "betaine" + - compartment: "s" + - formula: "C5H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01394c" + - name: "betaine_aldehyde" + - compartment: "c" + - formula: "C5H12NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01394m" + - name: "betaine_aldehyde" + - compartment: "m" + - formula: "C5H12NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01395c" + - name: "bile-PC pool" + - compartment: "c" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01395s" + - name: "bile-PC pool" + - compartment: "s" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01396c" + - name: "bilirubin" + - compartment: "c" + - formula: "C33H34N4O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01396r" + - name: "bilirubin" + - compartment: "r" + - formula: "C33H34N4O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01396s" + - name: "bilirubin" + - compartment: "s" + - formula: "C33H34N4O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01397c" + - name: "bilirubin-bisglucuronoside" + - compartment: "c" + - formula: "C45H50N4O18" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01397r" + - name: "bilirubin-bisglucuronoside" + - compartment: "r" + - formula: "C45H50N4O18" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01397s" + - name: "bilirubin-bisglucuronoside" + - compartment: "s" + - formula: "C45H50N4O18" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01398c" + - name: "bilirubin-monoglucuronoside" + - compartment: "c" + - formula: "C39H42N4O12" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01398r" + - name: "bilirubin-monoglucuronoside" + - compartment: "r" + - formula: "C39H42N4O12" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01398s" + - name: "bilirubin-monoglucuronoside" + - compartment: "s" + - formula: "C39H42N4O12" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01399c" + - name: "biliverdin" + - compartment: "c" + - formula: "C33H32N4O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01400c" + - name: "biocytin" + - compartment: "c" + - formula: "C16H28N4O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01400n" + - name: "biocytin" + - compartment: "n" + - formula: "C16H28N4O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01400s" + - name: "biocytin" + - compartment: "s" + - formula: "C16H28N4O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01401c" + - name: "biotin" + - compartment: "c" + - formula: "C10H15N2O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01401n" + - name: "biotin" + - compartment: "n" + - formula: "C10H15N2O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01401s" + - name: "biotin" + - compartment: "s" + - formula: "C10H15N2O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01402c" + - name: "biotinyl-5-AMP" + - compartment: "c" + - formula: "C20H27N7O9PS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01403c" + - name: "bromobenzene" + - compartment: "c" + - formula: "C6H5Br" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01403s" + - name: "bromobenzene" + - compartment: "s" + - formula: "C6H5Br" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01404c" + - name: "bromobenzene-2,3-dihydrodiol" + - compartment: "c" + - formula: "C6H7BrO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01405c" + - name: "bromobenzene-2,3-oxide" + - compartment: "c" + - formula: "C6H5BrO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01406c" + - name: "bromobenzene-3,4-dihydrodiol" + - compartment: "c" + - formula: "C6H7BrO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01407c" + - name: "bromobenzene-3,4-oxide" + - compartment: "c" + - formula: "C6H5BrO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01409c" + - name: "but-2-enoyl-[ACP]" + - compartment: "c" + - formula: "C15H25N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01410c" + - name: "butyrate" + - compartment: "c" + - formula: "C4H7O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01410s" + - name: "butyrate" + - compartment: "s" + - formula: "C4H7O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01411c" + - name: "butyryl-[ACP]" + - compartment: "c" + - formula: "C15H27N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01412c" + - name: "butyryl-CoA" + - compartment: "c" + - formula: "C25H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01412m" + - name: "butyryl-CoA" + - compartment: "m" + - formula: "C25H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01412p" + - name: "butyryl-CoA" + - compartment: "p" + - formula: "C25H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01413c" + - name: "Ca2+" + - compartment: "c" + - formula: "Ca" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01413s" + - name: "Ca2+" + - compartment: "s" + - formula: "Ca" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01415c" + - name: "calcidiol" + - compartment: "c" + - formula: "C27H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01415m" + - name: "calcidiol" + - compartment: "m" + - formula: "C27H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01415s" + - name: "calcidiol" + - compartment: "s" + - formula: "C27H44O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01416c" + - name: "calcitetrol" + - compartment: "c" + - formula: "C27H44O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01416m" + - name: "calcitetrol" + - compartment: "m" + - formula: "C27H44O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01417c" + - name: "calcitriol" + - compartment: "c" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01417m" + - name: "calcitriol" + - compartment: "m" + - formula: "C27H44O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01418c" + - name: "calcitroic acid" + - compartment: "c" + - formula: "C23H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01418m" + - name: "calcitroic acid" + - compartment: "m" + - formula: "C23H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01418s" + - name: "calcitroic acid" + - compartment: "s" + - formula: "C23H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01419c" + - name: "cAMP" + - compartment: "c" + - formula: "C10H11N5O6P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01419g" + - name: "cAMP" + - compartment: "g" + - formula: "C10H11N5O6P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01419s" + - name: "cAMP" + - compartment: "s" + - formula: "C10H11N5O6P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01420c" + - name: "carbamoyl-phosphate" + - compartment: "c" + - formula: "CH2NO5P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01420r" + - name: "carbamoyl-phosphate" + - compartment: "r" + - formula: "CH2NO5P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01421c" + - name: "carbonate" + - compartment: "c" + - formula: "CH2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01421m" + - name: "carbonate" + - compartment: "m" + - formula: "CH2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01421s" + - name: "carbonate" + - compartment: "s" + - formula: "CH2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01422c" + - name: "carboxybiotin-carboxyl-carrier" + - compartment: "c" + - formula: "C17H26N4O5SX" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01423c" + - name: "carnosine" + - compartment: "c" + - formula: "C9H14N4O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01424c" + - name: "CDP" + - compartment: "c" + - formula: "C9H12N3O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01424m" + - name: "CDP" + - compartment: "m" + - formula: "C9H12N3O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01424n" + - name: "CDP" + - compartment: "n" + - formula: "C9H12N3O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01424s" + - name: "CDP" + - compartment: "s" + - formula: "C9H12N3O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01425c" + - name: "CDP-choline" + - compartment: "c" + - formula: "C14H25N4O11P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01425r" + - name: "CDP-choline" + - compartment: "r" + - formula: "C14H25N4O11P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01426m" + - name: "CDP-diacylglycerol-CL pool" + - compartment: "m" + - formula: "C14H17N3O15P2R2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01427c" + - name: "CDP-diacylglycerol-LD-PI pool" + - compartment: "c" + - formula: "C14H17N3O15P2R2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01427l" + - name: "CDP-diacylglycerol-LD-PI pool" + - compartment: "l" + - formula: "C14H17N3O15P2R2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01427r" + - name: "CDP-diacylglycerol-LD-PI pool" + - compartment: "r" + - formula: "C14H17N3O15P2R2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01428c" + - name: "CDP-ethanolamine" + - compartment: "c" + - formula: "C11H19N4O11P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01428g" + - name: "CDP-ethanolamine" + - compartment: "g" + - formula: "C11H19N4O11P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01430c" + - name: "ceramide pool" + - compartment: "c" + - formula: "C18H36NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01430g" + - name: "ceramide pool" + - compartment: "g" + - formula: "C18H36NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01430l" + - name: "ceramide pool" + - compartment: "l" + - formula: "C18H36NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01430r" + - name: "ceramide pool" + - compartment: "r" + - formula: "C18H36NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01431c" + - name: "ceramide-1P pool" + - compartment: "c" + - formula: "C18H35NO5PRCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01432c" + - name: "cerotic acid" + - compartment: "c" + - formula: "C26H51O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01432l" + - name: "cerotic acid" + - compartment: "l" + - formula: "C26H51O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01432r" + - name: "cerotic acid" + - compartment: "r" + - formula: "C26H51O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01432s" + - name: "cerotic acid" + - compartment: "s" + - formula: "C26H51O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01433c" + - name: "cGMP" + - compartment: "c" + - formula: "C10H11N5O7P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01433g" + - name: "cGMP" + - compartment: "g" + - formula: "C10H11N5O7P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01433n" + - name: "cGMP" + - compartment: "n" + - formula: "C10H11N5O7P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01433s" + - name: "cGMP" + - compartment: "s" + - formula: "C10H11N5O7P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01434c" + - name: "chenodeoxycholoyl-CoA" + - compartment: "c" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01434p" + - name: "chenodeoxycholoyl-CoA" + - compartment: "p" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01434r" + - name: "chenodeoxycholoyl-CoA" + - compartment: "r" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01435c" + - name: "chenodiol" + - compartment: "c" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01435r" + - name: "chenodiol" + - compartment: "r" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01435s" + - name: "chenodiol" + - compartment: "s" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01436c" + - name: "chitin(n-1)" + - compartment: "c" + - formula: "C16H28N2O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01437c" + - name: "chitin" + - compartment: "c" + - formula: "C24H41N3O16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01438c" + - name: "chitin-component" + - compartment: "c" + - formula: "C8H13NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01438s" + - name: "chitin-component" + - compartment: "s" + - formula: "C8H13NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01439l" + - name: "chitobiose" + - compartment: "l" + - formula: "C16H28N2O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01439s" + - name: "chitobiose" + - compartment: "s" + - formula: "C16H28N2O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01440c" + - name: "chloral hydrate" + - compartment: "c" + - formula: "C2H3Cl3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01441c" + - name: "chloral" + - compartment: "c" + - formula: "C2HCl3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01442c" + - name: "chloride" + - compartment: "c" + - formula: "Cl" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01442s" + - name: "chloride" + - compartment: "s" + - formula: "Cl" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01443c" + - name: "chloroacetic acid" + - compartment: "c" + - formula: "C2H2ClO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01444c" + - name: "chloroacetyl chloride" + - compartment: "c" + - formula: "C2H2Cl2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01445c" + - name: "cholate" + - compartment: "c" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01445m" + - name: "cholate" + - compartment: "m" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01445p" + - name: "cholate" + - compartment: "p" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01445r" + - name: "cholate" + - compartment: "r" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01445s" + - name: "cholate" + - compartment: "s" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01446c" + - name: "cholest-5-ene-3beta,7alpha,24(S)-triol" + - compartment: "c" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01447r" + - name: "cholest-5-ene-3beta,7alpha,25-triol" + - compartment: "r" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01448c" + - name: "cholest-5-ene-3beta,7alpha,27-triol" + - compartment: "c" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01448m" + - name: "cholest-5-ene-3beta,7alpha,27-triol" + - compartment: "m" + - formula: "C27H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01450c" + - name: "cholesterol" + - compartment: "c" + - formula: "C27H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01450g" + - name: "cholesterol" + - compartment: "g" + - formula: "C27H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01450l" + - name: "cholesterol" + - compartment: "l" + - formula: "C27H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01450m" + - name: "cholesterol" + - compartment: "m" + - formula: "C27H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01450r" + - name: "cholesterol" + - compartment: "r" + - formula: "C27H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01450s" + - name: "cholesterol" + - compartment: "s" + - formula: "C27H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01451c" + - name: "cholesterol-ester pool" + - compartment: "c" + - formula: "C28H45O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01451l" + - name: "cholesterol-ester pool" + - compartment: "l" + - formula: "C28H45O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01451r" + - name: "cholesterol-ester pool" + - compartment: "r" + - formula: "C28H45O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01451s" + - name: "cholesterol-ester pool" + - compartment: "s" + - formula: "C28H45O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01452l" + - name: "cholesterol-ester-10,13,16,19-docosa" + - compartment: "l" + - formula: "C49H80O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01452r" + - name: "cholesterol-ester-10,13,16,19-docosa" + - compartment: "r" + - formula: "C49H80O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01453l" + - name: "cholesterol-ester-10,13,16-docosa" + - compartment: "l" + - formula: "C49H82O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01453r" + - name: "cholesterol-ester-10,13,16-docosa" + - compartment: "r" + - formula: "C49H82O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01454l" + - name: "cholesterol-ester-10-hepta" + - compartment: "l" + - formula: "C44H76O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01454r" + - name: "cholesterol-ester-10-hepta" + - compartment: "r" + - formula: "C44H76O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01455l" + - name: "cholesterol-ester-11,14,17-eico" + - compartment: "l" + - formula: "C47H78O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01455r" + - name: "cholesterol-ester-11,14,17-eico" + - compartment: "r" + - formula: "C47H78O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01456l" + - name: "cholesterol-ester-11,14-eicosa" + - compartment: "l" + - formula: "C47H80O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01456r" + - name: "cholesterol-ester-11,14-eicosa" + - compartment: "r" + - formula: "C47H80O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01457l" + - name: "cholesterol-ester-11-docose" + - compartment: "l" + - formula: "C49H86O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01457r" + - name: "cholesterol-ester-11-docose" + - compartment: "r" + - formula: "C49H86O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01458l" + - name: "cholesterol-ester-11-eico" + - compartment: "l" + - formula: "C47H82O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01458r" + - name: "cholesterol-ester-11-eico" + - compartment: "r" + - formula: "C47H82O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01459l" + - name: "cholesterol-ester-12,15,18,21-tetracosa" + - compartment: "l" + - formula: "C51H84O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01459r" + - name: "cholesterol-ester-12,15,18,21-tetracosa" + - compartment: "r" + - formula: "C51H84O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01460l" + - name: "cholesterol-ester-13,16,19-doco" + - compartment: "l" + - formula: "C49H82O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01460r" + - name: "cholesterol-ester-13,16,19-doco" + - compartment: "r" + - formula: "C49H82O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01461l" + - name: "cholesterol-ester-13,16-docosa" + - compartment: "l" + - formula: "C49H84O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01461r" + - name: "cholesterol-ester-13,16-docosa" + - compartment: "r" + - formula: "C49H84O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01462l" + - name: "cholesterol-ester-13-docose" + - compartment: "l" + - formula: "C49H86O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01462r" + - name: "cholesterol-ester-13-docose" + - compartment: "r" + - formula: "C49H86O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01463l" + - name: "cholesterol-ester-13-eicose" + - compartment: "l" + - formula: "C47H82O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01463r" + - name: "cholesterol-ester-13-eicose" + - compartment: "r" + - formula: "C47H82O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01464l" + - name: "cholesterol-ester-13-octade" + - compartment: "l" + - formula: "C45H78O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01464r" + - name: "cholesterol-ester-13-octade" + - compartment: "r" + - formula: "C45H78O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01465l" + - name: "cholesterol-ester-15-tetra" + - compartment: "l" + - formula: "C51H90O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01465r" + - name: "cholesterol-ester-15-tetra" + - compartment: "r" + - formula: "C51H90O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01466l" + - name: "cholesterol-ester-4,7,10,13,16,19-doco" + - compartment: "l" + - formula: "C49H76O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01466r" + - name: "cholesterol-ester-4,7,10,13,16,19-doco" + - compartment: "r" + - formula: "C49H76O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01467l" + - name: "cholesterol-ester-4,7,10,13,16-docosa" + - compartment: "l" + - formula: "C49H78O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01467r" + - name: "cholesterol-ester-4,7,10,13,16-docosa" + - compartment: "r" + - formula: "C49H78O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01468l" + - name: 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compartment: "s" + - formula: "C45H66N2O45S3X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01518g" + - name: "chondroitin sulfate A (GalNAc4S-GlcA), B (IdoA2S-GalNAc4S), and E (GalNAc4,6diS-GlcA), precursor 1" + - compartment: "g" + - formula: "C31H47NO31S2X" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01519l" + - name: "chondroitin sulfate A (GalNAc4S-GlcA), degradation product 1" + - compartment: "l" + - formula: "C45H68N2O43S2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01520l" + - name: "chondroitin sulfate A (GalNAc4S-GlcA), degradation product 2" + - compartment: "l" + - formula: "C37H55NO38S2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01521l" + - name: "chondroitin sulfate A (GalNAc4S-GlcA), degradation product 3" + - compartment: "l" + - formula: "C31H48NO32S2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01522l" + - name: "chondroitin sulfate A (GalNAc4S-GlcA), degradation product 4" + - compartment: "l" + - formula: "C31H49NO29S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01523l" + - name: "chondroitin sulfate A (GalNAc4S-GlcA), degradation product 5" + - compartment: "l" + - formula: "C23H36O24S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01524l" + - name: "chondroitin sulfate A (GalNAc4S-GlcA), free chain" + - compartment: "l" + - formula: "C45H67N2O46S3" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01525g" + - name: "chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S) proteoglycan" + - compartment: "g" + - formula: "C45H65N2O48S4X" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01525l" + - name: "chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S) proteoglycan" + - compartment: "l" + - formula: "C45H65N2O48S4X" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01525s" + - name: "chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S) proteoglycan" + - compartment: "s" + - formula: "C45H65N2O48S4X" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01526l" + - name: "chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S), degradation product 1" + - compartment: "l" + - formula: "C45H67N2O46S3" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01527l" + - name: "chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S), degradation product 2" + - compartment: "l" + - formula: "C37H54NO41S3" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01528l" + - name: "chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S), degradation product 3" + - compartment: "l" + - formula: "C37H55NO38S2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01529l" + - name: "chondroitin sulfate B - dermatan sulfate (IdoA2S-GalNAc4S), free chain" + - compartment: "l" + - formula: "C45H66N2O49S4" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01530g" + - name: "chondroitin sulfate B (IdoA2S-GalNAc4S), precursor 4" + - compartment: "g" + - formula: "C45H67N2O42S2X" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01531g" + - name: "chondroitin sulfate B (IdoA2S-GalNAc4s), precursor 5" + - compartment: "g" + - formula: "C45H66N2O45S3X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01532g" + - name: "chondroitin sulfate C (GalNAc6S-GlcA) and D (GlcNAc6S-GlcA2S), precursor 1" + - compartment: "g" + - formula: "C31H47NO31S2X" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01533g" + - name: "chondroitin sulfate C (GalNAc6S-GlcA) proteoglycan" + - compartment: "g" + - formula: "C45H66N2O45S3X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01533l" + - name: "chondroitin sulfate C (GalNAc6S-GlcA) proteoglycan" + - compartment: "l" + - formula: "C45H66N2O45S3X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01533s" + - name: "chondroitin sulfate C (GalNAc6S-GlcA) proteoglycan" + - compartment: "s" + - formula: "C45H66N2O45S3X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01534l" + - name: "chondroitin sulfate C (GalNAc6S-GlcA), degradation product 1" + - compartment: "l" + - formula: "C45H68N2O43S2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01535l" + - name: "chondroitin sulfate C (GalNAc6S-GlcA), degradation product 2" + - compartment: "l" + - formula: "C37H55NO38S2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01536l" + - name: "chondroitin sulfate C (GalNAc6S-GlcA), degradation product 3" + - compartment: "l" + - formula: "C31H48NO32S2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01537l" + - name: "chondroitin sulfate C (GalNAc6S-GlcA), degradation product 4" + - compartment: "l" + - formula: "C31H49NO29S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01538l" + - name: "chondroitin sulfate C (GalNAc6S-GlcA), degradation product 5" + - compartment: "l" + - formula: "C23H36O24S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01539l" + - name: "chondroitin sulfate C (GalNAc6S-GlcA), free chain" + - compartment: "l" + - formula: "C45H67N2O46S3" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01540g" + - name: "chondroitin sulfate C (GalNAc6S-GlcA), precursor 2" + - compartment: "g" + - formula: "C37H54NO37S2X" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01541g" + - name: "chondroitin sulfate C (GalNAc6S-GlcA), precursor 3" + - compartment: "g" + - formula: "C45H67N2O42S2X" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01542g" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S) precursor 2" + - compartment: "g" + - formula: "C31H46NO34S3X" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01543g" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S) proteoglycan" + - compartment: "g" + - formula: "C45H64N2O51S5X" + - charge: -7 + - inchis: "" + - !!omap + - id: "m01543l" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S) proteoglycan" + - compartment: "l" + - formula: "C45H64N2O51S5X" + - charge: -7 + - inchis: "" + - !!omap + - id: "m01543s" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S) proteoglycan" + - compartment: "s" + - formula: "C45H64N2O51S5X" + - charge: -7 + - inchis: "" + - !!omap + - id: "m01544l" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 1" + - compartment: "l" + - formula: "C45H66N2O49S4" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01545l" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 2" + - compartment: "l" + - formula: "C37H53NO44S4" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01546l" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 3" + - compartment: "l" + - formula: "C37H54NO41S3" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01547l" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 4" + - compartment: "l" + - formula: "C31H47NO35S3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01548l" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 5" + - compartment: "l" + - formula: "C31H48NO32S2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01549l" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 6" + - compartment: "l" + - formula: "C23H35O27S2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01550l" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), free chain" + - compartment: "l" + - formula: "C45H65N2O52S5" + - charge: -7 + - inchis: "" + - !!omap + - id: "m01551g" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 3" + - compartment: "g" + - formula: "C37H53NO40S3X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01552g" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 4" + - compartment: "g" + - formula: "C45H66N2O45S3X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01553g" + - name: "chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 5" + - compartment: "g" + - formula: "C45H65N2O48S4X" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01554g" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA) proteoglycan" + - compartment: "g" + - formula: "C45H63N2O54S6X" + - charge: -8 + - inchis: "" + - !!omap + - id: "m01554l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA) proteoglycan" + - compartment: "l" + - formula: "C45H63N2O54S6X" + - charge: -8 + - inchis: "" + - !!omap + - id: "m01554s" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA) proteoglycan" + - compartment: "s" + - formula: "C45H63N2O54S6X" + - charge: -8 + - inchis: "" + - !!omap + - id: "m01555l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 1" + - compartment: "l" + - formula: "C45H65N2O52S5" + - charge: -7 + - inchis: "" + - !!omap + - id: "m01556l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 2" + - compartment: "l" + - formula: "C45H66N2O49S4" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01557l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 3" + - compartment: "l" + - formula: "C37H53NO44S4" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01558l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 4" + - compartment: "l" + - formula: "C31H46NO38S4" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01559l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 5" + - compartment: "l" + - formula: "C31H47NO35S3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01560l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 6" + - compartment: "l" + - formula: "C31H48NO32S2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01561l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 7" + - compartment: "l" + - formula: "C23H35O27S2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01562l" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), free chain" + - compartment: "l" + - formula: "C45H64N2O55S6" + - charge: -8 + - inchis: "" + - !!omap + - id: "m01563g" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 2" + - compartment: "g" + - formula: "C31H45NO37S4X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01564g" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3" + - compartment: "g" + - formula: "C37H52NO43S4X" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01565g" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 4" + - compartment: "g" + - formula: "C45H65N2O48S4X" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01566g" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a" + - compartment: "g" + - formula: "C45H64N2O51S5X" + - charge: -7 + - inchis: "" + - !!omap + - id: "m01567g" + - name: "chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5b" + - compartment: "g" + - formula: "C45H64N2O51S5X" + - charge: -7 + - inchis: "" + - !!omap + - id: "m01568g" + - name: "chondroitin sulfate precursor (GalNAc-GlcA-(Gal)2-Xyl-L-Ser (protein))" + - compartment: "g" + - formula: "C31H49NO25X" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01569l" + - name: "chylomicron remnant" + - compartment: "l" + - formula: "C25519H39954N6593O8030P6S113R283" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01569s" + - name: "chylomicron remnant" + - compartment: "s" + - formula: "C25519H39954N6593O8030P6S113R283" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01570s" + - name: "chylomicron" + - compartment: "s" + - formula: "C488977H426169N6593O471488P6S113R232012" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01571c" + - name: "cimetidine" + - compartment: "c" + - formula: "C10H16N6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01571s" + - name: "cimetidine" + - compartment: "s" + - formula: "C10H16N6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01572c" + - name: "cinnavalininate" + - compartment: "c" + - formula: "C14H6N2O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01573m" + - name: "cis-(3S)-hydroxytetradec-5-enoyl-CoA" + - compartment: "m" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01573p" + - name: "cis-(3S)-hydroxytetradec-5-enoyl-CoA" + - compartment: "p" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01574m" + - name: "cis-(3S)-hydroxytetradec-7-enoyl-CoA" + - compartment: "m" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01574p" + - name: "cis-(3S)-hydroxytetradec-7-enoyl-CoA" + - compartment: "p" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01575m" + - name: "cis,cis-3,6-dodecadienoyl-CoA" + - compartment: "m" + - formula: "C33H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01575p" + - name: "cis,cis-3,6-dodecadienoyl-CoA" + - compartment: "p" + - formula: "C33H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01576m" + - name: "cis,cis-myristo-5,8-dienoyl-CoA" + - compartment: "m" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01576p" + - name: "cis,cis-myristo-5,8-dienoyl-CoA" + - compartment: "p" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01577m" + - name: "cis,cis-palmito-7,10-dienoyl-CoA" + - compartment: "m" + - formula: "C37H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01577p" + - name: "cis,cis-palmito-7,10-dienoyl-CoA" + - compartment: "p" + - formula: "C37H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01578c" + - name: "cis-2-hydroxycinnamate" + - compartment: "c" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01579m" + - name: "cis-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA" + - compartment: "m" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01579p" + - name: "cis-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA" + - compartment: "p" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01580c" + - name: "cis-aconitate" + - compartment: "c" + - formula: "C6H3O6" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01580m" + - name: "cis-aconitate" + - compartment: "m" + - formula: "C6H3O6" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01581c" + - name: "cis-beta-D-glucosyl-2-hydroxycinnamate" + - compartment: "c" + - formula: "C15H18O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01582c" + - name: "cis-cetoleic acid" + - compartment: "c" + - formula: "C22H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01582l" + - name: "cis-cetoleic acid" + - compartment: "l" + - formula: "C22H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01582r" + - name: "cis-cetoleic acid" + - compartment: "r" + - formula: "C22H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01582s" + - name: "cis-cetoleic acid" + - compartment: "s" + - formula: "C22H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01583c" + - name: "cis-erucic acid" + - compartment: "c" + - formula: "C22H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01583l" + - name: "cis-erucic acid" + - compartment: "l" + - formula: "C22H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01583r" + - name: "cis-erucic acid" + - compartment: "r" + - formula: "C22H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01583s" + - name: "cis-erucic acid" + - compartment: "s" + - formula: "C22H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01584c" + - name: "cis-gondoic acid" + - compartment: "c" + - formula: "C20H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01584l" + - name: "cis-gondoic acid" + - compartment: "l" + - formula: "C20H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01584r" + - name: "cis-gondoic acid" + - compartment: "r" + - formula: "C20H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01584s" + - name: "cis-gondoic acid" + - compartment: "s" + - formula: "C20H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01585c" + - name: "cis-vaccenic acid" + - compartment: "c" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01585l" + - name: "cis-vaccenic acid" + - compartment: "l" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01585r" + - name: "cis-vaccenic acid" + - compartment: "r" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01585s" + - name: "cis-vaccenic acid" + - compartment: "s" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01586c" + - name: "cis-vaccenoyl-CoA" + - compartment: "c" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01586m" + - name: "cis-vaccenoyl-CoA" + - compartment: "m" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01586p" + - name: "cis-vaccenoyl-CoA" + - compartment: "p" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01586r" + - name: "cis-vaccenoyl-CoA" + - compartment: "r" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01587c" + - name: "citrate" + - compartment: "c" + - formula: "C6H5O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01587m" + - name: "citrate" + - compartment: "m" + - formula: "C6H5O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01587s" + - name: "citrate" + - compartment: "s" + - formula: "C6H5O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01588c" + - name: "citrulline" + - compartment: "c" + - formula: "C6H13N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01588g" + - name: "citrulline" + - compartment: "g" + - formula: "C6H13N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01588m" + - name: "citrulline" + - compartment: "m" + - formula: "C6H13N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01588s" + - name: "citrulline" + - compartment: "s" + - formula: "C6H13N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01589c" + - name: "CL pool" + - compartment: "c" + - formula: "C13H16O17P2R4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01589m" + - name: "CL pool" + - compartment: "m" + - formula: "C13H16O17P2R4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01590c" + - name: "CMP" + - compartment: "c" + - formula: "C9H12N3O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01590g" + - name: "CMP" + - compartment: "g" + - formula: "C9H12N3O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01590l" + - name: "CMP" + - compartment: "l" + - formula: "C9H12N3O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01590m" + - name: "CMP" + - compartment: "m" + - formula: "C9H12N3O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01590n" + - name: "CMP" + - compartment: "n" + - formula: "C9H12N3O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01590r" + - name: "CMP" + - compartment: "r" + - formula: "C9H12N3O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01590s" + - name: "CMP" + - compartment: "s" + - formula: "C9H12N3O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01591c" + - name: "CMP-2-aminoethylphosphonate" + - compartment: "c" + - formula: "C11H19N4O10P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01592c" + - name: "CMP-N-acetylneuraminate" + - compartment: "c" + - formula: "C20H29N4O16P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01592g" + - name: "CMP-N-acetylneuraminate" + - compartment: "g" + - formula: "C20H29N4O16P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01592n" + - name: "CMP-N-acetylneuraminate" + - compartment: "n" + - formula: "C20H29N4O16P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01593c" + - name: "CMP-neuNGc" + - compartment: "c" + - formula: "C20H29N4O17P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01594c" + - name: "CMP-N-trimethyl-2-aminoethylphosphonate" + - compartment: "c" + - formula: "C14H25N4O10P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01595c" + - name: "CO" + - compartment: "c" + - formula: "CO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01595s" + - name: "CO" + - compartment: "s" + - formula: "CO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01596c" + - name: "CO2" + - compartment: "c" + - formula: "CO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01596g" + - name: "CO2" + - compartment: "g" + - formula: "CO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01596m" + - name: "CO2" + - compartment: "m" + - formula: "CO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01596p" + - name: "CO2" + - compartment: "p" + - formula: "CO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01596r" + - name: "CO2" + - compartment: "r" + - formula: "CO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01596s" + - name: "CO2" + - compartment: "s" + - formula: "CO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01597c" + - name: "CoA" + - compartment: "c" + - formula: "C21H32N7O16P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01597g" + - name: "CoA" + - compartment: "g" + - formula: "C21H32N7O16P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01597l" + - name: "CoA" + - compartment: "l" + - formula: "C21H32N7O16P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01597m" + - name: "CoA" + - compartment: "m" + - formula: "C21H32N7O16P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01597n" + - name: "CoA" + - compartment: "n" + - formula: "C21H32N7O16P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01597p" + - name: "CoA" + - compartment: "p" + - formula: "C21H32N7O16P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01597r" + - name: "CoA" + - compartment: "r" + - formula: "C21H32N7O16P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01599c" + - name: "cob(II)alamin" + - compartment: "c" + - formula: "C62H88CoN13O14P" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01600m" + - name: "cobamide-coenzyme" + - compartment: "m" + - formula: "C72H100CoN18O17P" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01601c" + - name: "cocaine" + - compartment: "c" + - formula: "C17H21NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01601r" + - name: "cocaine" + - compartment: "r" + - formula: "C17H21NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01603c" + - name: "coproporphyrin I" + - compartment: "c" + - formula: "C36H34N4O8" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01603s" + - name: "coproporphyrin I" + - compartment: "s" + - formula: "C36H34N4O8" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01604c" + - name: "coproporphyrin III" + - compartment: "c" + - formula: "C36H34N4O8" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01604s" + - name: "coproporphyrin III" + - compartment: "s" + - formula: "C36H34N4O8" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01605c" + - name: "coproporphyrinogen I" + - compartment: "c" + - formula: "C36H40N4O8" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01606c" + - name: "coproporphyrinogen III" + - compartment: "c" + - formula: "C36H40N4O8" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01607g" + - name: "core 2" + - compartment: "g" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01608g" + - name: "core 3" + - compartment: "g" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01609g" + - name: "core 4" + - compartment: "g" + - formula: "C24H40N3O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01610g" + - name: "core 5" + - compartment: "g" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01610c" + - name: "core 5" + - compartment: "c" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01610s" + - name: "core 5" + - compartment: "s" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01611g" + - name: "core 6" + - compartment: "g" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01611l" + - name: "core 6" + - compartment: "l" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01612g" + - name: "core 7" + - compartment: "g" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01612c" + - name: "core 7" + - compartment: "c" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01612s" + - name: "core 7" + - compartment: "s" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01613g" + - name: "core 8" + - compartment: "g" + - formula: "C14H24NO10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01613c" + - name: "core 8" + - compartment: "c" + - formula: "C14H24NO10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01613s" + - name: "core 8" + - compartment: "s" + - formula: "C14H24NO10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01614c" + - name: "corticosterone" + - compartment: "c" + - formula: "C21H30O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01614m" + - name: "corticosterone" + - compartment: "m" + - formula: "C21H30O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01614r" + - name: "corticosterone" + - compartment: "r" + - formula: "C21H30O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01614s" + - name: "corticosterone" + - compartment: "s" + - formula: "C21H30O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01615c" + - name: "cortisol" + - compartment: "c" + - formula: "C21H30O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01615m" + - name: "cortisol" + - compartment: "m" + - formula: "C21H30O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01615r" + - name: "cortisol" + - compartment: "r" + - formula: "C21H30O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01615s" + - name: "cortisol" + - compartment: "s" + - formula: "C21H30O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01616c" + - name: "cortisone" + - compartment: "c" + - formula: "C21H28O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01616r" + - name: "cortisone" + - compartment: "r" + - formula: "C21H28O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01617c" + - name: "coumarin" + - compartment: "c" + - formula: "C9H6O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01617s" + - name: "coumarin" + - compartment: "s" + - formula: "C9H6O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01618c" + - name: "cPMP" + - compartment: "c" + - formula: "C10H13N5O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01619c" + - name: "creatine" + - compartment: "c" + - formula: "C4H9N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01619m" + - name: "creatine" + - compartment: "m" + - formula: "C4H9N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01619s" + - name: "creatine" + - compartment: "s" + - formula: "C4H9N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01620c" + - name: "creatine-phosphate" + - compartment: "c" + - formula: "C4H8N3O5P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01620m" + - name: "creatine-phosphate" + - compartment: "m" + - formula: "C4H8N3O5P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01621c" + - name: "creatinine" + - compartment: "c" + - formula: "C4H7N3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01621s" + - name: "creatinine" + - compartment: "s" + - formula: "C4H7N3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01622m" + - name: "crotonyl-CoA" + - compartment: "m" + - formula: "C25H36N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01622p" + - name: "crotonyl-CoA" + - compartment: "p" + - formula: "C25H36N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01623c" + - name: "CTP" + - compartment: "c" + - formula: "C9H12N3O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01623m" + - name: "CTP" + - compartment: "m" + - formula: "C9H12N3O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01623n" + - name: "CTP" + - compartment: "n" + - formula: "C9H12N3O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01623s" + - name: "CTP" + - compartment: "s" + - formula: "C9H12N3O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01624c" + - name: "Cu2+" + - compartment: "c" + - formula: "Cu" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01624s" + - name: "Cu2+" + - compartment: "s" + - formula: "Cu" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01625c" + - name: "cyclic-3-hydroxymelatonin" + - compartment: "c" + - formula: "C13H16N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01626c" + - name: "cys-gly" + - compartment: "c" + - formula: "C5H10N2O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01626s" + - name: "cys-gly" + - compartment: "s" + - formula: "C5H10N2O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01627c" + - name: "cysteamine" + - compartment: "c" + - formula: "C2H8NS" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01628c" + - name: "cysteine" + - compartment: "c" + - formula: "C3H7NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01628l" + - name: "cysteine" + - compartment: "l" + - formula: "C3H7NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01628m" + - name: "cysteine" + - compartment: "m" + - formula: "C3H7NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01628s" + - name: "cysteine" + - compartment: "s" + - formula: "C3H7NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01629c" + - name: "cystine" + - compartment: "c" + - formula: "C6H12N2O4S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01629s" + - name: "cystine" + - compartment: "s" + - formula: "C6H12N2O4S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01630c" + - name: "cytidine" + - compartment: "c" + - formula: "C9H13N3O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01630l" + - name: "cytidine" + - compartment: "l" + - formula: "C9H13N3O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01630m" + - name: "cytidine" + - compartment: "m" + - formula: "C9H13N3O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01630n" + - name: "cytidine" + - compartment: "n" + - formula: "C9H13N3O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01630s" + - name: "cytidine" + - compartment: "s" + - formula: "C9H13N3O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01631m" + - name: "cytochrome-C" + - compartment: "m" + - formula: "C1612H2513FeN447O449S20" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01632c" + - name: "cytosine" + - compartment: "c" + - formula: "C4H5N3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01632s" + - name: "cytosine" + - compartment: "s" + - formula: "C4H5N3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01633c" + - name: "D-3-amino-isobutanoate" + - compartment: "c" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01633m" + - name: "D-3-amino-isobutanoate" + - compartment: "m" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01633s" + - name: "D-3-amino-isobutanoate" + - compartment: "s" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01634c" + - name: "D-3-hydroxydodecanoyl-[ACP]" + - compartment: "c" + - formula: "C23H43N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01635c" + - name: "D-3-hydroxyhexanoyl-[ACP]" + - compartment: "c" + - formula: "C17H31N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01636c" + - name: "D-4-phosphopantothenate" + - compartment: "c" + - formula: "C9H15NO8P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01637c" + - name: "dADP" + - compartment: "c" + - formula: "C10H12N5O9P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01637m" + - name: "dADP" + - compartment: "m" + - formula: "C10H12N5O9P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01637n" + - name: "dADP" + - compartment: "n" + - formula: "C10H12N5O9P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01638c" + - name: "D-alanine" + - compartment: "c" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01638l" + - name: "D-alanine" + - compartment: "l" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01638p" + - name: "D-alanine" + - compartment: "p" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01638s" + - name: "D-alanine" + - compartment: "s" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01639c" + - name: "dAMP" + - compartment: "c" + - formula: "C10H12N5O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01639l" + - name: "dAMP" + - compartment: "l" + - formula: "C10H12N5O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01640c" + - name: "D-arginine" + - compartment: "c" + - formula: "C6H15N4O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01640p" + - name: "D-arginine" + - compartment: "p" + - formula: "C6H15N4O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01640s" + - name: "D-arginine" + - compartment: "s" + - formula: "C6H15N4O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01641c" + - name: "D-aspartate" + - compartment: "c" + - formula: "C4H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01641p" + - name: "D-aspartate" + - compartment: "p" + - formula: "C4H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01641s" + - name: "D-aspartate" + - compartment: "s" + - formula: "C4H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01642c" + - name: "dATP" + - compartment: "c" + - formula: "C10H12N5O12P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01642m" + - name: "dATP" + - compartment: "m" + - formula: "C10H12N5O12P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01642n" + - name: "dATP" + - compartment: "n" + - formula: "C10H12N5O12P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01643c" + - name: "dCDP" + - compartment: "c" + - formula: "C9H12N3O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01643m" + - name: "dCDP" + - compartment: "m" + - formula: "C9H12N3O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01643n" + - name: "dCDP" + - compartment: "n" + - formula: "C9H12N3O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01644c" + - name: "dCMP" + - compartment: "c" + - formula: "C9H12N3O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01644l" + - name: "dCMP" + - compartment: "l" + - formula: "C9H12N3O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01644m" + - name: "dCMP" + - compartment: "m" + - formula: "C9H12N3O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01644n" + - name: "dCMP" + - compartment: "n" + - formula: "C9H12N3O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01645c" + - name: "dCTP" + - compartment: "c" + - formula: "C9H12N3O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01645m" + - name: "dCTP" + - compartment: "m" + - formula: "C9H12N3O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01645n" + - name: "dCTP" + - compartment: "n" + - formula: "C9H12N3O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01646c" + - name: "deamido-NAD" + - compartment: "c" + - formula: "C21H24N6O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01646n" + - name: "deamido-NAD" + - compartment: "n" + - formula: "C21H24N6O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01647c" + - name: "debrisoquin" + - compartment: "c" + - formula: "C10H14N3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01647s" + - name: "debrisoquin" + - compartment: "s" + - formula: "C10H14N3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01648c" + - name: "decanoic acid" + - compartment: "c" + - formula: "C10H19O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01648s" + - name: "decanoic acid" + - compartment: "s" + - formula: "C10H19O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01649c" + - name: "decanoyl-[ACP]" + - compartment: "c" + - formula: "C21H39N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01650c" + - name: "decanoyl-CoA" + - compartment: "c" + - formula: "C31H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01650m" + - name: "decanoyl-CoA" + - compartment: "m" + - formula: "C31H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01650p" + - name: "decanoyl-CoA" + - compartment: "p" + - formula: "C31H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01651l" + - name: "de-Fuc form of PA6 (wo peptide linkage)" + - compartment: "l" + - formula: "C84H136N6O62" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01652l" + - name: "de-Fuc form of PA6" + - compartment: "l" + - formula: "C84H135N6O61X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01652s" + - name: "de-Fuc form of PA6" + - compartment: "s" + - formula: "C84H135N6O61X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01653l" + - name: "de-Fuc, GlcNAc removed PA6 (wo peptide linkage)" + - compartment: "l" + - formula: "C76H123N5O57" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01654c" + - name: "dehydroalanine" + - compartment: "c" + - formula: "C3H5NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01655c" + - name: "dehydroascorbic acid" + - compartment: "c" + - formula: "C6H5O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01655s" + - name: "dehydroascorbic acid" + - compartment: "s" + - formula: "C6H5O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01656c" + - name: "dehydrodolichol" + - compartment: "c" + - formula: "C100H162O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01657c" + - name: "dehydrodolichol-diphosphate" + - compartment: "c" + - formula: "C100H161O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01658c" + - name: "dehydrodolichol-phosphate" + - compartment: "c" + - formula: "C100H161O4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01659c" + - name: "dehydroepiandrosterone sulfate" + - compartment: "c" + - formula: "C19H27O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01659r" + - name: "dehydroepiandrosterone sulfate" + - compartment: "r" + - formula: "C19H27O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01659s" + - name: "dehydroepiandrosterone sulfate" + - compartment: "s" + - formula: "C19H27O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01660c" + - name: "dehydroepiandrosterone" + - compartment: "c" + - formula: "C19H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01660r" + - name: "dehydroepiandrosterone" + - compartment: "r" + - formula: "C19H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01661c" + - name: "dehydrospermidine" + - compartment: "c" + - formula: "C7H20N3" + - charge: 3 + - inchis: "" + - !!omap + - id: "m01662c" + - name: "delta-12-prostaglandin J2" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01662r" + - name: "delta-12-prostaglandin J2" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01663p" + - name: "delta1-piperideine-2-carboxylate" + - compartment: "p" + - formula: "C6H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01664p" + - name: "delta2-THA-CoA" + - compartment: "p" + - formula: "C45H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01665r" + - name: "dem2emgacpail_prot heparan sulfate" + - compartment: "r" + - formula: "C39H70N3O38P3R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01665c" + - name: "dem2emgacpail_prot heparan sulfate" + - compartment: "c" + - formula: "C39H70N3O38P3R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01665s" + - name: "dem2emgacpail_prot heparan sulfate" + - compartment: "s" + - formula: "C39H70N3O38P3R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01666c" + - name: "deoxyadenosine" + - compartment: "c" + - formula: "C10H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01666l" + - name: "deoxyadenosine" + - compartment: "l" + - formula: "C10H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01666s" + - name: "deoxyadenosine" + - compartment: "s" + - formula: "C10H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01667c" + - name: "deoxycholoyl-CoA" + - compartment: "c" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01667p" + - name: "deoxycholoyl-CoA" + - compartment: "p" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01667r" + - name: "deoxycholoyl-CoA" + - compartment: "r" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01668c" + - name: "deoxycytidine" + - compartment: "c" + - formula: "C9H13N3O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01668l" + - name: "deoxycytidine" + - compartment: "l" + - formula: "C9H13N3O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01668m" + - name: "deoxycytidine" + - compartment: "m" + - formula: "C9H13N3O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01668n" + - name: "deoxycytidine" + - compartment: "n" + - formula: "C9H13N3O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01668s" + - name: "deoxycytidine" + - compartment: "s" + - formula: "C9H13N3O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01669c" + - name: "deoxyguanosine" + - compartment: "c" + - formula: "C10H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01669l" + - name: "deoxyguanosine" + - compartment: "l" + - formula: "C10H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01669m" + - name: "deoxyguanosine" + - compartment: "m" + - formula: "C10H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01669s" + - name: "deoxyguanosine" + - compartment: "s" + - formula: "C10H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01670c" + - name: "deoxyhypusine" + - compartment: "c" + - formula: "C10H25N3O2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01671c" + - name: "deoxyinosine" + - compartment: "c" + - formula: "C10H12N4O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01671s" + - name: "deoxyinosine" + - compartment: "s" + - formula: "C10H12N4O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01672c" + - name: "deoxyribose" + - compartment: "c" + - formula: "C5H10O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01672s" + - name: "deoxyribose" + - compartment: "s" + - formula: "C5H10O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01673c" + - name: "deoxyuridine" + - compartment: "c" + - formula: "C9H12N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01673m" + - name: "deoxyuridine" + - compartment: "m" + - formula: "C9H12N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01673n" + - name: "deoxyuridine" + - compartment: "n" + - formula: "C9H12N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01673s" + - name: "deoxyuridine" + - compartment: "s" + - formula: "C9H12N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01674c" + - name: "dephospho-CoA" + - compartment: "c" + - formula: "C21H33N7O13P2S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01674l" + - name: "dephospho-CoA" + - compartment: "l" + - formula: "C21H33N7O13P2S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01674m" + - name: "dephospho-CoA" + - compartment: "m" + - formula: "C21H33N7O13P2S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01675c" + - name: "desmosterol" + - compartment: "c" + - formula: "C27H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01676c" + - name: "detyrosinated alpha-tubulin" + - compartment: "c" + - formula: "C4H6N2O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01677c" + - name: "dextrin(n-1)" + - compartment: "c" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01678c" + - name: "dextrin" + - compartment: "c" + - formula: "C18H32O16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01679c" + - name: "D-galactosyl-N-acylsphingosine" + - compartment: "c" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01679g" + - name: "D-galactosyl-N-acylsphingosine" + - compartment: "g" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01679l" + - name: "D-galactosyl-N-acylsphingosine" + - compartment: "l" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01679r" + - name: "D-galactosyl-N-acylsphingosine" + - compartment: "r" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01680c" + - name: "dGDP" + - compartment: "c" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01680m" + - name: "dGDP" + - compartment: "m" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01680n" + - name: "dGDP" + - compartment: "n" + - formula: "C10H12N5O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01681c" + - name: "D-glucarate" + - compartment: "c" + - formula: "C6H8O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01682c" + - name: "D-glucitol" + - compartment: "c" + - formula: "C6H14O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01682g" + - name: "D-glucitol" + - compartment: "g" + - formula: "C6H14O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01682l" + - name: "D-glucitol" + - compartment: "l" + - formula: "C6H14O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01682s" + - name: "D-glucitol" + - compartment: "s" + - formula: "C6H14O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01683c" + - name: "D-gluconic acid" + - compartment: "c" + - formula: "C6H11O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01684c" + - name: "D-glucuronate 1-phosphate" + - compartment: "c" + - formula: "C6H8O10P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01685c" + - name: "D-glucurono-6,3-lactone" + - compartment: "c" + - formula: "C6H8O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01685r" + - name: "D-glucurono-6,3-lactone" + - compartment: "r" + - formula: "C6H8O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01686c" + - name: "dGMP" + - compartment: "c" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01686l" + - name: "dGMP" + - compartment: "l" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01686m" + - name: "dGMP" + - compartment: "m" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01687r" + - name: "dgpi_prot heparan sulfate" + - compartment: "r" + - formula: "C41H76N4O41P4R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01687c" + - name: "dgpi_prot heparan sulfate" + - compartment: "c" + - formula: "C41H76N4O41P4R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01687s" + - name: "dgpi_prot heparan sulfate" + - compartment: "s" + - formula: "C41H76N4O41P4R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01688c" + - name: "dGTP" + - compartment: "c" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01688m" + - name: "dGTP" + - compartment: "m" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01688n" + - name: "dGTP" + - compartment: "n" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01689c" + - name: "DHA" + - compartment: "c" + - formula: "C22H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01689l" + - name: "DHA" + - compartment: "l" + - formula: "C22H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01689r" + - name: "DHA" + - compartment: "r" + - formula: "C22H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01689s" + - name: "DHA" + - compartment: "s" + - formula: "C22H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01690c" + - name: "DHAP" + - compartment: "c" + - formula: "C3H5O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01690m" + - name: "DHAP" + - compartment: "m" + - formula: "C3H5O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01690p" + - name: "DHAP" + - compartment: "p" + - formula: "C3H5O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01690s" + - name: "DHAP" + - compartment: "s" + - formula: "C3H5O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01691c" + - name: "dichloroacetate" + - compartment: "c" + - formula: "C2H1Cl2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01692c" + - name: "dichloroacetyl chloride" + - compartment: "c" + - formula: "C2HCl3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01693c" + - name: "dIDP" + - compartment: "c" + - formula: "C10H11N4O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01693m" + - name: "dIDP" + - compartment: "m" + - formula: "C10H11N4O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01693n" + - name: "dIDP" + - compartment: "n" + - formula: "C10H11N4O10P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01694c" + - name: "digalactosylceramide" + - compartment: "c" + - formula: "C30H56NO12RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01694g" + - name: "digalactosylceramide" + - compartment: "g" + - formula: "C30H56NO12RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01694l" + - name: "digalactosylceramide" + - compartment: "l" + - formula: "C30H56NO12RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01695c" + - name: "digalactosylceramidesulfate" + - compartment: "c" + - formula: "C30H55NO15SRCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01695g" + - name: "digalactosylceramidesulfate" + - compartment: "g" + - formula: "C30H55NO15SRCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01695s" + - name: "digalactosylceramidesulfate" + - compartment: "s" + - formula: "C30H55NO15SRCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01696c" + - name: "dihomo-gamma-linolenate" + - compartment: "c" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01696l" + - name: "dihomo-gamma-linolenate" + - compartment: "l" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01696r" + - name: "dihomo-gamma-linolenate" + - compartment: "r" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01696s" + - name: "dihomo-gamma-linolenate" + - compartment: "s" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01697c" + - name: "dihomo-gamma-linolenoyl-CoA" + - compartment: "c" + - formula: "C41H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01697m" + - name: "dihomo-gamma-linolenoyl-CoA" + - compartment: "m" + - formula: "C41H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01697r" + - name: "dihomo-gamma-linolenoyl-CoA" + - compartment: "r" + - formula: "C41H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01698c" + - name: "dihydrobiopterin" + - compartment: "c" + - formula: "C9H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01699c" + - name: "dihydroceramide pool" + - compartment: "c" + - formula: "C18H38NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01700c" + - name: "dihydrofolate" + - compartment: "c" + - formula: "C19H19N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01700l" + - name: "dihydrofolate" + - compartment: "l" + - formula: "C19H19N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01700m" + - name: "dihydrofolate" + - compartment: "m" + - formula: "C19H19N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01700s" + - name: "dihydrofolate" + - compartment: "s" + - formula: "C19H19N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01701c" + - name: "dihydrolipoamide" + - compartment: "c" + - formula: "C8H17NOS2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01701m" + - name: "dihydrolipoamide" + - compartment: "m" + - formula: "C8H17NOS2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01702c" + - name: "dihydrolipoate" + - compartment: "c" + - formula: "C8H15O2S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01703m" + - name: "dihydrolipoylprotein" + - compartment: "m" + - formula: "H2S2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01704c" + - name: "dihydroneopterin" + - compartment: "c" + - formula: "C9H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01704s" + - name: "dihydroneopterin" + - compartment: "s" + - formula: "C9H13N5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01705c" + - name: "dihydrothymine" + - compartment: "c" + - formula: "C5H8N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01705m" + - name: "dihydrothymine" + - compartment: "m" + - formula: "C5H8N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01706c" + - name: "dimethylallyl-PP" + - compartment: "c" + - formula: "C5H9O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01707c" + - name: "dimethylamine" + - compartment: "c" + - formula: "C2H8N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01708c" + - name: "dimethylglycine" + - compartment: "c" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01708m" + - name: "dimethylglycine" + - compartment: "m" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01709c" + - name: "dIMP" + - compartment: "c" + - formula: "C10H11N4O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01710c" + - name: "diphospho-myo-inositol-polyphosphate" + - compartment: "c" + - formula: "O3PX" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01711c" + - name: "disialylgalactosylgloboside" + - compartment: "c" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01711g" + - name: "disialylgalactosylgloboside" + - compartment: "g" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01711s" + - name: "disialylgalactosylgloboside" + - compartment: "s" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01712c" + - name: "disialyl-T antigen" + - compartment: "c" + - formula: "C36H56N3O26X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01712g" + - name: "disialyl-T antigen" + - compartment: "g" + - formula: "C36H56N3O26X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01712s" + - name: "disialyl-T antigen" + - compartment: "s" + - formula: "C36H56N3O26X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01713c" + - name: "dithiothreitol" + - compartment: "c" + - formula: "C4H10O2S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01714c" + - name: "dITP" + - compartment: "c" + - formula: "C10H11N4O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01714m" + - name: "dITP" + - compartment: "m" + - formula: "C10H11N4O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01714n" + - name: "dITP" + - compartment: "n" + - formula: "C10H11N4O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01714s" + - name: "dITP" + - compartment: "s" + - formula: "C10H11N4O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01715c" + - name: "D-lactaldehyde" + - compartment: "c" + - formula: "C3H6O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01716c" + - name: "D-lactate" + - compartment: "c" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01716m" + - name: "D-lactate" + - compartment: "m" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01716s" + - name: "D-lactate" + - compartment: "s" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01717c" + - name: "D-mannose-1,6-bisphosphate" + - compartment: "c" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01718c" + - name: "D-myo-inositol-1,4,5-trisphosphate" + - compartment: "c" + - formula: "C6H9O15P3" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01718n" + - name: "D-myo-inositol-1,4,5-trisphosphate" + - compartment: "n" + - formula: "C6H9O15P3" + - charge: -6 + - inchis: "" + - !!omap + - id: "m01719c" + - name: "DNA containing 6-O-methylguanine" + - compartment: "c" + - formula: "C21H28N5O17P3R2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01720c" + - name: "DNA containing guanine" + - compartment: "c" + - formula: "C20H26N5O17P3R2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01721c" + - name: "DNA" + - compartment: "c" + - formula: "C10H17O8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01721n" + - name: "DNA" + - compartment: "n" + - formula: "C10H17O8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01722c" + - name: "DNA-5-methylcytosine" + - compartment: "c" + - formula: "C11H19O8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01722n" + - name: "DNA-5-methylcytosine" + - compartment: "n" + - formula: "C11H19O8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01723c" + - name: "docosahexaenoylcarnitine" + - compartment: "c" + - formula: "C29H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01723m" + - name: "docosahexaenoylcarnitine" + - compartment: "m" + - formula: "C29H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01723r" + - name: "docosahexaenoylcarnitine" + - compartment: "r" + - formula: "C29H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01724c" + - name: "docosanoylcarnitine" + - compartment: "c" + - formula: "C29H57NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01724m" + - name: "docosanoylcarnitine" + - compartment: "m" + - formula: "C29H57NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01724r" + - name: "docosanoylcarnitine" + - compartment: "r" + - formula: "C29H57NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01725c" + - name: "docosanoyl-CoA" + - compartment: "c" + - formula: "C43H74N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01725m" + - name: "docosanoyl-CoA" + - compartment: "m" + - formula: "C43H74N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01725p" + - name: "docosanoyl-CoA" + - compartment: "p" + - formula: "C43H74N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01725r" + - name: "docosanoyl-CoA" + - compartment: "r" + - formula: "C43H74N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01726c" + - name: "docosenoylcarnitine(11)" + - compartment: "c" + - formula: "C29H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01726m" + - name: "docosenoylcarnitine(11)" + - compartment: "m" + - formula: "C29H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01726r" + - name: "docosenoylcarnitine(11)" + - compartment: "r" + - formula: "C29H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01727c" + - name: "docosenoylcarnitine" + - compartment: "c" + - formula: "C29H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01727m" + - name: "docosenoylcarnitine" + - compartment: "m" + - formula: "C29H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01727r" + - name: "docosenoylcarnitine" + - compartment: "r" + - formula: "C29H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01728c" + - name: "dodecanoyl-[ACP]" + - compartment: "c" + - formula: "C23H43N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01729c" + - name: "dodecanoylcarnitine" + - compartment: "c" + - formula: "C19H37NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01729m" + - name: "dodecanoylcarnitine" + - compartment: "m" + - formula: "C19H37NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01729r" + - name: "dodecanoylcarnitine" + - compartment: "r" + - formula: "C19H37NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01730c" + - name: "dolichol" + - compartment: "c" + - formula: "C100H164O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01730r" + - name: "dolichol" + - compartment: "r" + - formula: "C100H164O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01730s" + - name: "dolichol" + - compartment: "s" + - formula: "C100H164O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01731r" + - name: "dolichyl-D-glucosyl-phosphate" + - compartment: "r" + - formula: "C106H174O9P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01732r" + - name: "dolichyl-diphosphate" + - compartment: "r" + - formula: "C100H163O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01733c" + - name: "dolichyl-phosphate" + - compartment: "c" + - formula: "C100H163O4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01733r" + - name: "dolichyl-phosphate" + - compartment: "r" + - formula: "C100H163O4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01734c" + - name: "dolichyl-phosphate-D-mannose" + - compartment: "c" + - formula: "C106H174O9P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01734r" + - name: "dolichyl-phosphate-D-mannose" + - compartment: "r" + - formula: "C106H174O9P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01736c" + - name: "dopamine" + - compartment: "c" + - formula: "C8H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01736g" + - name: "dopamine" + - compartment: "g" + - formula: "C8H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01736m" + - name: "dopamine" + - compartment: "m" + - formula: "C8H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01736s" + - name: "dopamine" + - compartment: "s" + - formula: "C8H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01737c" + - name: "dopamine-3-O-sulfate" + - compartment: "c" + - formula: "C8H11NO5S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01737s" + - name: "dopamine-3-O-sulfate" + - compartment: "s" + - formula: "C8H11NO5S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01738c" + - name: "dopamine-O-quinone" + - compartment: "c" + - formula: "C8H10NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01739c" + - name: "dopaminochrome" + - compartment: "c" + - formula: "C8H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01740c" + - name: "D-ornithine" + - compartment: "c" + - formula: "C5H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01740p" + - name: "D-ornithine" + - compartment: "p" + - formula: "C5H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01740s" + - name: "D-ornithine" + - compartment: "s" + - formula: "C5H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01741c" + - name: "DPA" + - compartment: "c" + - formula: "C22H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01741l" + - name: "DPA" + - compartment: "l" + - formula: "C22H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01741r" + - name: "DPA" + - compartment: "r" + - formula: "C22H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01741s" + - name: "DPA" + - compartment: "s" + - formula: "C22H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01742c" + - name: "D-proline" + - compartment: "c" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01742l" + - name: "D-proline" + - compartment: "l" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01742s" + - name: "D-proline" + - compartment: "s" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01743c" + - name: "D-ribulose" + - compartment: "c" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01743s" + - name: "D-ribulose" + - compartment: "s" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01744c" + - name: "D-serine" + - compartment: "c" + - formula: "C3H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01744s" + - name: "D-serine" + - compartment: "s" + - formula: "C3H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01745c" + - name: "D-tagatose" + - compartment: "c" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01745s" + - name: "D-tagatose" + - compartment: "s" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01746c" + - name: "D-tagatose-6-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01747c" + - name: "dTDP" + - compartment: "c" + - formula: "C10H13N2O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01747m" + - name: "dTDP" + - compartment: "m" + - formula: "C10H13N2O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01747n" + - name: "dTDP" + - compartment: "n" + - formula: "C10H13N2O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01748c" + - name: "dTDP-4-dehydro-6-deoxy-L-mannose" + - compartment: "c" + - formula: "C16H22N2O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01749c" + - name: "dTDP-6-deoxy-L-mannose" + - compartment: "c" + - formula: "C16H24N2O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01750c" + - name: "dTDP-galactose" + - compartment: "c" + - formula: "C16H24N2O16P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01751c" + - name: "dTDP-glucose" + - compartment: "c" + - formula: "C16H24N2O16P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01752c" + - name: "dTMP" + - compartment: "c" + - formula: "C10H13N2O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01752l" + - name: "dTMP" + - compartment: "l" + - formula: "C10H13N2O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01752m" + - name: "dTMP" + - compartment: "m" + - formula: "C10H13N2O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01752n" + - name: "dTMP" + - compartment: "n" + - formula: "C10H13N2O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01753c" + - name: "dTTP" + - compartment: "c" + - formula: "C10H13N2O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01753m" + - name: "dTTP" + - compartment: "m" + - formula: "C10H13N2O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01753n" + - name: "dTTP" + - compartment: "n" + - formula: "C10H13N2O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01754c" + - name: "dUDP" + - compartment: "c" + - formula: "C9H11N2O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01754m" + - name: "dUDP" + - compartment: "m" + - formula: "C9H11N2O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01754n" + - name: "dUDP" + - compartment: "n" + - formula: "C9H11N2O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01755c" + - name: "dUMP" + - compartment: "c" + - formula: "C9H11N2O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01755m" + - name: "dUMP" + - compartment: "m" + - formula: "C9H11N2O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01755n" + - name: "dUMP" + - compartment: "n" + - formula: "C9H11N2O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01756c" + - name: "dUTP" + - compartment: "c" + - formula: "C9H11N2O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01756m" + - name: "dUTP" + - compartment: "m" + - formula: "C9H11N2O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01756n" + - name: "dUTP" + - compartment: "n" + - formula: "C9H11N2O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01757c" + - name: "D-xylonolactone" + - compartment: "c" + - formula: "C5H8O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01758c" + - name: "D-xylose" + - compartment: "c" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01758l" + - name: "D-xylose" + - compartment: "l" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01758s" + - name: "D-xylose" + - compartment: "s" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01759c" + - name: "D-xylulose" + - compartment: "c" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01760c" + - name: "D-xylulose-1-phosphate" + - compartment: "c" + - formula: "C5H9O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01761c" + - name: "D-xylulose-5-phosphate" + - compartment: "c" + - formula: "C5H9O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01762c" + - name: "dynorphin A-(1-5)" + - compartment: "c" + - formula: "C28H37N5O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01763c" + - name: "dynorphin A-(1-8)" + - compartment: "c" + - formula: "C46H74N14O10" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01764c" + - name: "dynorphin A-(6-8)" + - compartment: "c" + - formula: "C18H39N9O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01765c" + - name: "ebastine" + - compartment: "c" + - formula: "C32H39NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01765r" + - name: "ebastine" + - compartment: "r" + - formula: "C32H39NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01765s" + - name: "ebastine" + - compartment: "s" + - formula: "C32H39NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01766r" + - name: "ecgonine" + - compartment: "r" + - formula: "C9H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01767c" + - name: "ecgonine-methyl ester" + - compartment: "c" + - formula: "C10H17NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01767r" + - name: "ecgonine-methyl ester" + - compartment: "r" + - formula: "C10H17NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01768c" + - name: "edaravone" + - compartment: "c" + - formula: "C10H10N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01768s" + - name: "edaravone" + - compartment: "s" + - formula: "C10H10N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01769c" + - name: "eicosa-(2E,8Z,11Z,14Z,17Z)-pentaenoyl-CoA" + - compartment: "c" + - formula: "C41H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01770c" + - name: "eicosadienoylcarnitine" + - compartment: "c" + - formula: "C27H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01770m" + - name: "eicosadienoylcarnitine" + - compartment: "m" + - formula: "C27H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01770r" + - name: "eicosadienoylcarnitine" + - compartment: "r" + - formula: "C27H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01771c" + - name: "eicosanoate" + - compartment: "c" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01771l" + - name: "eicosanoate" + - compartment: "l" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01771r" + - name: "eicosanoate" + - compartment: "r" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01771s" + - name: "eicosanoate" + - compartment: "s" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01772c" + - name: "eicosanoylcarnitine" + - compartment: "c" + - formula: "C27H53NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01772m" + - name: "eicosanoylcarnitine" + - compartment: "m" + - formula: "C27H53NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01772r" + - name: "eicosanoylcarnitine" + - compartment: "r" + - formula: "C27H53NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01773c" + - name: "eicosanoyl-CoA" + - compartment: "c" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01773m" + - name: "eicosanoyl-CoA" + - compartment: "m" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01773p" + - name: "eicosanoyl-CoA" + - compartment: "p" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01773r" + - name: "eicosanoyl-CoA" + - compartment: "r" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01774c" + - name: "eicosatrienoylcarnitine" + - compartment: "c" + - formula: "C27H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01774m" + - name: "eicosatrienoylcarnitine" + - compartment: "m" + - formula: "C27H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01774r" + - name: "eicosatrienoylcarnitine" + - compartment: "r" + - formula: "C27H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01775c" + - name: "eicosenoylcarnitine(11)" + - compartment: "c" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01775m" + - name: "eicosenoylcarnitine(11)" + - compartment: "m" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01775r" + - name: "eicosenoylcarnitine(11)" + - compartment: "r" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01776c" + - name: "eicosenoylcarnitine(7)" + - compartment: "c" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01776m" + - name: "eicosenoylcarnitine(7)" + - compartment: "m" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01776r" + - name: "eicosenoylcarnitine(7)" + - compartment: "r" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01777c" + - name: "eicosenoylcarnitine(9)" + - compartment: "c" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01777m" + - name: "eicosenoylcarnitine(9)" + - compartment: "m" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01777r" + - name: "eicosenoylcarnitine(9)" + - compartment: "r" + - formula: "C27H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01778c" + - name: "elaidate" + - compartment: "c" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01778l" + - name: "elaidate" + - compartment: "l" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01778r" + - name: "elaidate" + - compartment: "r" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01778s" + - name: "elaidate" + - compartment: "s" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01779r" + - name: "em2emgacpail heparan sulfate" + - compartment: "r" + - formula: "C55H100N3O39P3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01780r" + - name: "em2emgacpail_prot heparan sulfate" + - compartment: "r" + - formula: "C55H100N3O39P3R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01781r" + - name: "em3gacpail heparan sulfate" + - compartment: "r" + - formula: "C53H94N2O36P2R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01782r" + - name: "emem2gacpail heparan sulfate" + - compartment: "r" + - formula: "C55H100N3O39P3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01783r" + - name: "emgacpail heparan sulfate" + - compartment: "r" + - formula: "C41H74N2O26P2R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01784c" + - name: "EPA" + - compartment: "c" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01784l" + - name: "EPA" + - compartment: "l" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01784n" + - name: "EPA" + - compartment: "n" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01784p" + - name: "EPA" + - compartment: "p" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01784r" + - name: "EPA" + - compartment: "r" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01784s" + - name: "EPA" + - compartment: "s" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01785c" + - name: "erythrose-4-phosphate" + - compartment: "c" + - formula: "C4H7O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01786c" + - name: "estradiol-17beta 3-glucuronide" + - compartment: "c" + - formula: "C24H32O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01786r" + - name: "estradiol-17beta 3-glucuronide" + - compartment: "r" + - formula: "C24H32O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01786s" + - name: "estradiol-17beta 3-glucuronide" + - compartment: "s" + - formula: "C24H32O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01787c" + - name: "estradiol-17beta" + - compartment: "c" + - formula: "C18H24O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01787r" + - name: "estradiol-17beta" + - compartment: "r" + - formula: "C18H24O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01787s" + - name: "estradiol-17beta" + - compartment: "s" + - formula: "C18H24O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01788c" + - name: "estriol" + - compartment: "c" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01788r" + - name: "estriol" + - compartment: "r" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01788s" + - name: "estriol" + - compartment: "s" + - formula: "C18H24O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01789c" + - name: "estrone 3-sulfate" + - compartment: "c" + - formula: "C18H21O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01789r" + - name: "estrone 3-sulfate" + - compartment: "r" + - formula: "C18H21O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01789s" + - name: "estrone 3-sulfate" + - compartment: "s" + - formula: "C18H21O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01790c" + - name: "estrone" + - compartment: "c" + - formula: "C18H22O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01790l" + - name: "estrone" + - compartment: "l" + - formula: "C18H22O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01790r" + - name: "estrone" + - compartment: "r" + - formula: "C18H22O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01791c" + - name: "estrone-2,3-quinone" + - compartment: "c" + - formula: "C18H20O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01791m" + - name: "estrone-2,3-quinone" + - compartment: "m" + - formula: "C18H20O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01791p" + - name: "estrone-2,3-quinone" + - compartment: "p" + - formula: "C18H20O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01791r" + - name: "estrone-2,3-quinone" + - compartment: "r" + - formula: "C18H20O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01792c" + - name: "estrone-2,3-semiquinone" + - compartment: "c" + - formula: "C18H21O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01792l" + - name: "estrone-2,3-semiquinone" + - compartment: "l" + - formula: "C18H21O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01792r" + - name: "estrone-2,3-semiquinone" + - compartment: "r" + - formula: "C18H21O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01793c" + - name: "estrone-3,4-quinone" + - compartment: "c" + - formula: "C18H20O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01793m" + - name: "estrone-3,4-quinone" + - compartment: "m" + - formula: "C18H20O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01793p" + - name: "estrone-3,4-quinone" + - compartment: "p" + - formula: "C18H20O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01793r" + - name: "estrone-3,4-quinone" + - compartment: "r" + - formula: "C18H20O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01794c" + - name: "estrone-3,4-semiquinone" + - compartment: "c" + - formula: "C18H21O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01794l" + - name: "estrone-3,4-semiquinone" + - compartment: "l" + - formula: "C18H21O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01794r" + - name: "estrone-3,4-semiquinone" + - compartment: "r" + - formula: "C18H21O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01795c" + - name: "estrone-glucuronide" + - compartment: "c" + - formula: "C24H30O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01795r" + - name: "estrone-glucuronide" + - compartment: "r" + - formula: "C24H30O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01795s" + - name: "estrone-glucuronide" + - compartment: "s" + - formula: "C24H30O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01796c" + - name: "ethanol" + - compartment: "c" + - formula: "C2H6O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01796p" + - name: "ethanol" + - compartment: "p" + - formula: "C2H6O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01796s" + - name: "ethanol" + - compartment: "s" + - formula: "C2H6O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01797c" + - name: "ethanolamine" + - compartment: "c" + - formula: "C2H8NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01797s" + - name: "ethanolamine" + - compartment: "s" + - formula: "C2H8NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01798c" + - name: "ethanolamine-phosphate" + - compartment: "c" + - formula: "C2H7NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01798r" + - name: "ethanolamine-phosphate" + - compartment: "r" + - formula: "C2H7NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01799c" + - name: "etiocholan-3alpha-ol-17-one 3-glucuronide" + - compartment: "c" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01799r" + - name: "etiocholan-3alpha-ol-17-one 3-glucuronide" + - compartment: "r" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01799s" + - name: "etiocholan-3alpha-ol-17-one 3-glucuronide" + - compartment: "s" + - formula: "C25H38O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01800c" + - name: "etiocholanolone" + - compartment: "c" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01800r" + - name: "etiocholanolone" + - compartment: "r" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01800s" + - name: "etiocholanolone" + - compartment: "s" + - formula: "C19H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01801g" + - name: "F1alpha" + - compartment: "g" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01801l" + - name: "F1alpha" + - compartment: "l" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01802c" + - name: "FAD" + - compartment: "c" + - formula: "C27H31N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01802m" + - name: "FAD" + - compartment: "m" + - formula: "C27H31N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01802p" + - name: "FAD" + - compartment: "p" + - formula: "C27H31N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01802r" + - name: "FAD" + - compartment: "r" + - formula: "C27H31N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01802s" + - name: "FAD" + - compartment: "s" + - formula: "C27H31N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01803c" + - name: "FADH2" + - compartment: "c" + - formula: "C27H33N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01803m" + - name: "FADH2" + - compartment: "m" + - formula: "C27H33N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01803p" + - name: "FADH2" + - compartment: "p" + - formula: "C27H33N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01803r" + - name: "FADH2" + - compartment: "r" + - formula: "C27H33N9O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01804c" + - name: "FAICAR" + - compartment: "c" + - formula: "C10H13N4O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01806c" + - name: "farnesyl-PP" + - compartment: "c" + - formula: "C15H25O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01807s" + - name: "fatty acid-chylomicron pool" + - compartment: "s" + - formula: "CHO2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01808c" + - name: "fatty acid-LD-PC pool (liver tissue)" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01808r" + - name: "fatty acid-LD-PC pool (liver tissue)" + - compartment: "r" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01809c" + - name: "fatty acid-LD-PE pool (liver tissue)" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01810c" + - name: "fatty acid-LD-PI pool (liver tissue)" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01811c" + - name: "fatty acid-LD-PS pool (liver tissue)" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01812c" + - name: "fatty acid-LD-SM pool (liver tissue)" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01813c" + - name: "fatty acid-LD-TG1 pool (liver tissue)" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01814c" + - name: "fatty acid-LD-TG2 pool (liver tissue)" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01815c" + - name: "fatty acid-LD-TG3 pool (liver tissue)" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01816n" + - name: "fatty acid-ligands" + - compartment: "n" + - formula: "R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01819s" + - name: "fatty acid-uptake pool" + - compartment: "s" + - formula: "CHO2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01820s" + - name: "fatty acid-VLDL pool" + - compartment: "s" + - formula: "CHO2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01821c" + - name: "Fe2+" + - compartment: "c" + - formula: "Fe" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01821m" + - name: "Fe2+" + - compartment: "m" + - formula: "Fe" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01821s" + - name: "Fe2+" + - compartment: "s" + - formula: "Fe" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01822c" + - name: "Fe3+" + - compartment: "c" + - formula: "Fe" + - charge: 3 + - inchis: "" + - !!omap + - id: "m01822s" + - name: "Fe3+" + - compartment: "s" + - formula: "Fe" + - charge: 3 + - inchis: "" + - !!omap + - id: "m01823c" + - name: "ferricytochrome B5" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01824c" + - name: "ferricytochrome C" + - compartment: "c" + - formula: "C42H54FeN8O6S2" + - charge: 3 + - inchis: "" + - !!omap + - id: "m01824m" + - name: "ferricytochrome C" + - compartment: "m" + - formula: "C42H54FeN8O6S2" + - charge: 3 + - inchis: "" + - !!omap + - id: "m01825c" + - name: "ferrocytochrome B5" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01826c" + - name: "ferrocytochrome C" + - compartment: "c" + - formula: "C42H54FeN8O6S2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01826m" + - name: "ferrocytochrome C" + - compartment: "m" + - formula: "C42H54FeN8O6S2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01827c" + - name: "fibrinogen" + - compartment: "c" + - formula: "C12932H19804N3662O4205S96" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01827l" + - name: "fibrinogen" + - compartment: "l" + - formula: "C12932H19804N3662O4205S96" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01827s" + - name: "fibrinogen" + - compartment: "s" + - formula: "C12932H19804N3662O4205S96" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01828c" + - name: "FMN" + - compartment: "c" + - formula: "C17H19N4O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01829g" + - name: "fn2m2masn" + - compartment: "g" + - formula: "C56H93N4O39X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01830c" + - name: "folate" + - compartment: "c" + - formula: "C19H18N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01830m" + - name: "folate" + - compartment: "m" + - formula: "C19H18N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01830s" + - name: "folate" + - compartment: "s" + - formula: "C19H18N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01831c" + - name: "formaldehyde" + - compartment: "c" + - formula: "CH2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01831l" + - name: "formaldehyde" + - compartment: "l" + - formula: "CH2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01831m" + - name: "formaldehyde" + - compartment: "m" + - formula: "CH2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01831p" + - name: "formaldehyde" + - compartment: "p" + - formula: "CH2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01832c" + - name: "formamidopyrimidine nucleoside triphosphate" + - compartment: "c" + - formula: "C10H14N5O15P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01832n" + - name: "formamidopyrimidine nucleoside triphosphate" + - compartment: "n" + - formula: "C10H14N5O15P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01833c" + - name: "formate" + - compartment: "c" + - formula: "CH1O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01833m" + - name: "formate" + - compartment: "m" + - formula: "CH1O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01833n" + - name: "formate" + - compartment: "n" + - formula: "CH1O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01833p" + - name: "formate" + - compartment: "p" + - formula: "CH1O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01833r" + - name: "formate" + - compartment: "r" + - formula: "CH1O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01833s" + - name: "formate" + - compartment: "s" + - formula: "CH1O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01836c" + - name: "formyl-CoA" + - compartment: "c" + - formula: "C22H32N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01836p" + - name: "formyl-CoA" + - compartment: "p" + - formula: "C22H32N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01837c" + - name: "formylglutathione" + - compartment: "c" + - formula: "C11H16N3O7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01838c" + - name: "formyl-L-methionyl-peptide" + - compartment: "c" + - formula: "C12H17N4O6SR3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01839c" + - name: "formyl-N-acetyl-5-methoxykynurenamine" + - compartment: "c" + - formula: "C13H16N2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01840c" + - name: "fructose" + - compartment: "c" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01840s" + - name: "fructose" + - compartment: "s" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01841c" + - name: "fructose-1,6-bisphosphate" + - compartment: "c" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01842c" + - name: "fructose-1-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01843c" + - name: "fructose-2,6-bisphosphate" + - compartment: "c" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01844c" + - name: "fructose-3-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01845c" + - name: "fructose-6-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01846c" + - name: "fructoseglycine" + - compartment: "c" + - formula: "C8H15NO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01847c" + - name: "fructoseglycine-ketone-3-phosphate" + - compartment: "c" + - formula: "C8H14NO10P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01848c" + - name: "fructoselysine-3-phosphate" + - compartment: "c" + - formula: "C12H24N2O10P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01849c" + - name: "fuc-3-isoLM1" + - compartment: "c" + - formula: "C62H106N3O35R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01850c" + - name: "fucacgalfucgalacglcgalgluside heparan sulfate" + - compartment: "c" + - formula: "C64H112N3O35RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01850g" + - name: "fucacgalfucgalacglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C64H112N3O35RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01850s" + - name: "fucacgalfucgalacglcgalgluside heparan sulfate" + - compartment: "s" + - formula: "C64H112N3O35RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01851c" + - name: "fucfuc132galacglcgal14acglcgalgluside heparan sulfate" + - compartment: "c" + - formula: "C70H122N3O40RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01851g" + - name: "fucfuc132galacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C70H122N3O40RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01851s" + - name: "fucfuc132galacglcgal14acglcgalgluside heparan sulfate" + - compartment: "s" + - formula: "C70H122N3O40RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01852c" + - name: "fucfucfucgalacglc13galacglcgal14acglcgalgluside heparan sulfate" + - compartment: "c" + - formula: "C90H155N4O54RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01852g" + - name: "fucfucfucgalacglc13galacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C90H155N4O54RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01852s" + - name: "fucfucfucgalacglc13galacglcgal14acglcgalgluside heparan sulfate" + - compartment: "s" + - formula: "C90H155N4O54RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01853c" + - name: "fucfucfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "c" + - formula: "C76H132N3O44RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01853g" + - name: "fucfucfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C76H132N3O44RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01853s" + - name: "fucfucfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "s" + - formula: "C76H132N3O44RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01854g" + - name: "fucfucgalacglc13galacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C84H145N4O50RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01855g" + - name: "fucfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C70H122N3O40RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01858g" + - name: "fucgalacglc13galacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C78H135N4O46RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01859c" + - name: "fucgalfucgalacglcgalgluside heparan sulfate" + - compartment: "c" + - formula: "C62H109N2O35RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01859g" + - name: "fucgalfucgalacglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C62H109N2O35RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01859s" + - name: "fucgalfucgalacglcgalgluside heparan sulfate" + - compartment: "s" + - formula: "C62H109N2O35RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01860c" + - name: "fuc-Lc4Cer" + - compartment: "c" + - formula: "C50H89N2O26RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01861c" + - name: "fucosyl-galactosylgloboside" + - compartment: "c" + - formula: "C56H99N2O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01861g" + - name: "fucosyl-galactosylgloboside" + - compartment: "g" + - formula: "C56H99N2O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01861s" + - name: "fucosyl-galactosylgloboside" + - compartment: "s" + - formula: "C56H99N2O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01862c" + - name: "fumarate" + - compartment: "c" + - formula: "C4H2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01862m" + - name: "fumarate" + - compartment: "m" + - formula: "C4H2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01863c" + - name: "fumarylacetoacetate" + - compartment: "c" + - formula: "C8H6O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01864c" + - name: "G(5)pppR-RNA" + - compartment: "c" + - formula: "C25H34N5O29P5R3" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01865c" + - name: "G00005" + - compartment: "c" + - formula: "C134H220N2O32P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01866c" + - name: "G00006" + - compartment: "c" + - formula: "C146H240N2O42P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01866r" + - name: "G00006" + - compartment: "r" + - formula: "C146H240N2O42P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01867r" + - name: "G00007" + - compartment: "r" + - formula: "C170H280N2O62P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01868g" + - name: "G00020" + - compartment: "g" + - formula: "C58H96N5O40X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01870g" + - name: "G00022" + - compartment: "g" + - formula: "C74H122N7O50X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01870s" + - name: "G00022" + - compartment: "s" + - formula: "C74H122N7O50X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01871g" + - name: "G00031" + - compartment: "g" + - formula: "C16H27N2O10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01872g" + - name: "G00032" + - compartment: "g" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01872s" + - name: "G00032" + - compartment: "s" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01874c" + - name: "G00040" + - compartment: "c" + - formula: "C62H109N2O35RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01874s" + - name: "G00040" + - compartment: "s" + - formula: "C62H109N2O35RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01876c" + - name: "G00057" + - compartment: "c" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01877c" + - name: "G00072" + - compartment: "c" + - formula: "C72H125N4O41RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01878c" + - name: "G00073" + - compartment: "c" + - formula: "C78H135N4O46RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01880c" + - name: "G00077" + - compartment: "c" + - formula: "C66H115N4O37RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01880g" + - name: "G00077" + - compartment: "g" + - formula: "C66H115N4O37RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01881c" + - name: "G00079" + - compartment: "c" + - formula: "C85H145N4O51R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01881s" + - name: "G00079" + - compartment: "s" + - formula: "C85H145N4O51R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01882c" + - name: "G00081" + - compartment: "c" + - formula: "C70H122N3O40RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01883c" + - name: "G00082" + - compartment: "c" + - formula: "C76H132N3O44RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01883s" + - name: "G00082" + - compartment: "s" + - formula: "C76H132N3O44RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01884c" + - name: "G00083" + - compartment: "c" + - formula: "C70H122N3O41RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01884s" + - name: "G00083" + - compartment: "s" + - formula: "C70H122N3O41RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01885c" + - name: "G00084" + - compartment: "c" + - formula: "C78H135N4O46RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01886c" + - name: "G00085" + - compartment: "c" + - formula: "C84H145N4O50RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01887c" + - name: "G00086" + - compartment: "c" + - formula: "C90H155N4O54RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01887s" + - name: "G00086" + - compartment: "s" + - formula: "C90H155N4O54RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01895c" + - name: "G10526" + - compartment: "c" + - formula: "C140H230N2O37P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01896r" + - name: "G10595" + - compartment: "r" + - formula: "C152H250N2O47P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01897r" + - name: "G10596" + - compartment: "r" + - formula: "C158H260N2O52P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01898r" + - name: "G10597" + - compartment: "r" + - formula: "C164H270N2O57P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01899r" + - name: "G10598" + - compartment: "r" + - formula: "C176H290N2O67P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01900r" + - name: "G10599" + - compartment: "r" + - formula: "C182H300N2O72P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01904c" + - name: "GA1" + - compartment: "c" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01904g" + - name: "GA1" + - compartment: "g" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01905c" + - name: "GA2" + - compartment: "c" + - formula: "C38H69N2O17RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01905g" + - name: "GA2" + - compartment: "g" + - formula: "C38H69N2O17RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01906g" + - name: "Gal2-Xyl-L-Ser-[protein]" + - compartment: "g" + - formula: "C17H29O14X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01907g" + - name: "galacgalfuc12gal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01908g" + - name: "galacgalfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C78H135N4O46RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01909c" + - name: "galactitol" + - compartment: "c" + - formula: "C6H14O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01910c" + - name: "galactose" + - compartment: "c" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01910l" + - name: "galactose" + - compartment: "l" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01910s" + - name: "galactose" + - compartment: "s" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01911c" + - name: "galactose-1-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01912c" + - name: "galactosylgloboside" + - compartment: "c" + - formula: "C50H89N2O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01912g" + - name: "galactosylgloboside" + - compartment: "g" + - formula: "C50H89N2O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01913s" + - name: "galactosylglycerol" + - compartment: "s" + - formula: "C9H18O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01914c" + - name: "galfuc12gal14acglcgalgluside heparan sulfate" + - compartment: "c" + - formula: "C56H99N2O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01914g" + - name: "galfuc12gal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C56H99N2O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01914s" + - name: "galfuc12gal14acglcgalgluside heparan sulfate" + - compartment: "s" + - formula: "C56H99N2O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01915c" + - name: "galfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "c" + - formula: "C70H122N3O41RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01915g" + - name: "galfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C70H122N3O41RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01915s" + - name: "galfucgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "s" + - formula: "C70H122N3O41RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01916c" + - name: "galgalfucfucgalacglcgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "c" + - formula: "C96H165N4O60RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01916g" + - name: "galgalfucfucgalacglcgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "g" + - formula: "C96H165N4O60RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01916s" + - name: "galgalfucfucgalacglcgalacglcgal14acglcgalgluside heparan sulfate" + - compartment: "s" + - formula: "C96H165N4O60RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01917c" + - name: "galgalgalthcrm heparan sulfate" + - compartment: "c" + - formula: "C54H96NO32RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01917g" + - name: "galgalgalthcrm heparan sulfate" + - compartment: "g" + - formula: "C54H96NO32RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01917s" + - name: "galgalgalthcrm heparan sulfate" + - compartment: "s" + - formula: "C54H96NO32RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01918g" + - name: "galgalthcrm heparan sulfate" + - compartment: "g" + - formula: "C48H86NO27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01919c" + - name: "gal-glcnac-gal-globoside" + - compartment: "c" + - formula: "C64H112N3O37RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01919g" + - name: "gal-glcnac-gal-globoside" + - compartment: "g" + - formula: "C64H112N3O37RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01919s" + - name: "gal-glcnac-gal-globoside" + - compartment: "s" + - formula: "C64H112N3O37RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01920g" + - name: "galthcrm heparan sulfate" + - compartment: "g" + - formula: "C42H76NO22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01921g" + - name: "Gal-Xyl-L-Ser-[protein]" + - compartment: "g" + - formula: "C11H19O9X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01922c" + - name: "gamma-butyrobetaine" + - compartment: "c" + - formula: "C7H15NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01923c" + - name: "gamma-carboxyethyl-hydroxychroman" + - compartment: "c" + - formula: "C15H19O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01923m" + - name: "gamma-carboxyethyl-hydroxychroman" + - compartment: "m" + - formula: "C15H19O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01924c" + - name: "gamma-CEHC-glucuronide" + - compartment: "c" + - formula: "C21H27O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01925s" + - name: "gamma-glutamyl-3-aminopropiononitrile" + - compartment: "s" + - formula: "C8H13N3O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01926s" + - name: "gamma-glutamyl-beta-cyanoalanine" + - compartment: "s" + - formula: "C9H12N3O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01927c" + - name: "gamma-glutamyl-cysteine" + - compartment: "c" + - formula: "C8H13N2O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01928c" + - name: "gamma-glutamylglutathione" + - compartment: "c" + - formula: "C15H22N4O9S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01929c" + - name: "gamma-hydroxy-3-pyridinebutanoate" + - compartment: "c" + - formula: "C9H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01930c" + - name: "gamma-L-glutamyl-L-alanine" + - compartment: "c" + - formula: "C8H13N2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01931c" + - name: "gamma-L-glutamyl-L-alpha-aminobutyrate" + - compartment: "c" + - formula: "C9H15N2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01932c" + - name: "gamma-linolenate" + - compartment: "c" + - formula: "C18H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01932l" + - name: "gamma-linolenate" + - compartment: "l" + - formula: "C18H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01932r" + - name: "gamma-linolenate" + - compartment: "r" + - formula: "C18H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01932s" + - name: "gamma-linolenate" + - compartment: "s" + - formula: "C18H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01933c" + - name: "gamma-linolenoylcarnitine" + - compartment: "c" + - formula: "C25H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01933m" + - name: "gamma-linolenoylcarnitine" + - compartment: "m" + - formula: "C25H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01933r" + - name: "gamma-linolenoylcarnitine" + - compartment: "r" + - formula: "C25H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01934c" + - name: "gamma-linolenoyl-CoA" + - compartment: "c" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01934m" + - name: "gamma-linolenoyl-CoA" + - compartment: "m" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01934p" + - name: "gamma-linolenoyl-CoA" + - compartment: "p" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01934r" + - name: "gamma-linolenoyl-CoA" + - compartment: "r" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01935c" + - name: "gamma-tocopherol" + - compartment: "c" + - formula: "C28H48O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01935r" + - name: "gamma-tocopherol" + - compartment: "r" + - formula: "C28H48O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01935s" + - name: "gamma-tocopherol" + - compartment: "s" + - formula: "C28H48O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01936c" + - name: "gamma-tocopheroxyl-radical" + - compartment: "c" + - formula: "C28H47O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01937c" + - name: "gamma-tocopheryl-quinone" + - compartment: "c" + - formula: "C28H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01938c" + - name: "gamma-tocotrienol" + - compartment: "c" + - formula: "C28H42O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01938r" + - name: "gamma-tocotrienol" + - compartment: "r" + - formula: "C28H42O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01938s" + - name: "gamma-tocotrienol" + - compartment: "s" + - formula: "C28H42O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01939c" + - name: "GAP" + - compartment: "c" + - formula: "C3H5O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01940c" + - name: "GAR" + - compartment: "c" + - formula: "C7H14N2O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01941c" + - name: "GD1a" + - compartment: "c" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01941g" + - name: "GD1a" + - compartment: "g" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01942g" + - name: "GD1alpha" + - compartment: "g" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01943c" + - name: "GD1b" + - compartment: "c" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01943g" + - name: "GD1b" + - compartment: "g" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01944c" + - name: "GD1beta" + - compartment: "c" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01944g" + - name: "GD1beta" + - compartment: "g" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01944s" + - name: "GD1beta" + - compartment: "s" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01945c" + - name: "GD1c" + - compartment: "c" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01945g" + - name: "GD1c" + - compartment: "g" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01945s" + - name: "GD1c" + - compartment: "s" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01946c" + - name: "GD2" + - compartment: "c" + - formula: "C60H101N4O33RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01946g" + - name: "GD2" + - compartment: "g" + - formula: "C60H101N4O33RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01947c" + - name: "GD3" + - compartment: "c" + - formula: "C52H88N3O28RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01947g" + - name: "GD3" + - compartment: "g" + - formula: "C52H88N3O28RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01948c" + - name: "GDP" + - compartment: "c" + - formula: "C10H12N5O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01948g" + - name: "GDP" + - compartment: "g" + - formula: "C10H12N5O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01948m" + - name: "GDP" + - compartment: "m" + - formula: "C10H12N5O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01948n" + - name: "GDP" + - compartment: "n" + - formula: "C10H12N5O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01948s" + - name: "GDP" + - compartment: "s" + - formula: "C10H12N5O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01949c" + - name: "GDP-4-dehydro-6-deoxy-D-mannose" + - compartment: "c" + - formula: "C16H21N5O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01950c" + - name: "GDP-L-fucose" + - compartment: "c" + - formula: "C16H23N5O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01950g" + - name: "GDP-L-fucose" + - compartment: "g" + - formula: "C16H23N5O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01951c" + - name: "GDP-mannose" + - compartment: "c" + - formula: "C16H23N5O16P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01952c" + - name: "gentisate aldehyde" + - compartment: "c" + - formula: "C7H6O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01953c" + - name: "geranyl-PP" + - compartment: "c" + - formula: "C10H17O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01954g" + - name: "glcnac-alpha-1,4-core 1" + - compartment: "g" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01955g" + - name: "glcnac-alpha-1,4-core 2" + - compartment: "g" + - formula: "C30H50N3O20X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01955c" + - name: "glcnac-alpha-1,4-core 2" + - compartment: "c" + - formula: "C30H50N3O20X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01955s" + - name: "glcnac-alpha-1,4-core 2" + - compartment: "s" + - formula: "C30H50N3O20X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01956g" + - name: "glcnac-gal-globoside" + - compartment: "g" + - formula: "C58H102N3O32RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01957c" + - name: "globin" + - compartment: "c" + - formula: "C57H88O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01959c" + - name: "globoside" + - compartment: "c" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01959g" + - name: "globoside" + - compartment: "g" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01959l" + - name: "globoside" + - compartment: "l" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01959s" + - name: "globoside" + - compartment: "s" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01960c" + - name: "globotriaosylceramide" + - compartment: "c" + - formula: "C36H66NO17RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01960g" + - name: "globotriaosylceramide" + - compartment: "g" + - formula: "C36H66NO17RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01960l" + - name: "globotriaosylceramide" + - compartment: "l" + - formula: "C36H66NO17RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01961c" + - name: "glucono-1,5-lactone-6-phosphate" + - compartment: "c" + - formula: "C6H9O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01961r" + - name: "glucono-1,5-lactone-6-phosphate" + - compartment: "r" + - formula: "C6H9O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01962c" + - name: "glucosamine" + - compartment: "c" + - formula: "C6H14NO5" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01962s" + - name: "glucosamine" + - compartment: "s" + - formula: "C6H14NO5" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01963c" + - name: "glucosamine-6-phosphate" + - compartment: "c" + - formula: "C6H13NO8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01964c" + - name: "glucosaminyl-acylphosphatidylinositol" + - compartment: "c" + - formula: "C33H58NO18PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01964r" + - name: "glucosaminyl-acylphosphatidylinositol" + - compartment: "r" + - formula: "C33H58NO18PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01965c" + - name: "glucose" + - compartment: "c" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01965g" + - name: "glucose" + - compartment: "g" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01965l" + - name: "glucose" + - compartment: "l" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01965r" + - name: "glucose" + - compartment: "r" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01965s" + - name: "glucose" + - compartment: "s" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01966c" + - name: "glucose-1,6-bisphosphate" + - compartment: "c" + - formula: "C6H11O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01966s" + - name: "glucose-1,6-bisphosphate" + - compartment: "s" + - formula: "C6H11O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01967c" + - name: "glucose-1-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01968c" + - name: "glucose-6-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01968r" + - name: "glucose-6-phosphate" + - compartment: "r" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01969g" + - name: "glucosyl-(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)" + - compartment: "g" + - formula: "C64H107N2O50X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01969r" + - name: "glucosyl-(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein)" + - compartment: "r" + - formula: "C64H107N2O50X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01970g" + - name: "glucosyl-(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein)" + - compartment: "g" + - formula: "C70H117N2O55X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01970r" + - name: "glucosyl-(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein)" + - compartment: "r" + - formula: "C70H117N2O55X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01971g" + - name: "glucosyl-(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform C (protein)" + - compartment: "g" + - formula: "C70H117N2O55X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01971r" + - name: "glucosyl-(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform C (protein)" + - compartment: "r" + - formula: "C70H117N2O55X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01972c" + - name: "glucosylceramide pool" + - compartment: "c" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01972g" + - name: "glucosylceramide pool" + - compartment: "g" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01972l" + - name: "glucosylceramide pool" + - compartment: "l" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01972r" + - name: "glucosylceramide pool" + - compartment: "r" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01972s" + - name: "glucosylceramide pool" + - compartment: "s" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01973c" + - name: "glucuronate" + - compartment: "c" + - formula: "C6H9O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01973l" + - name: "glucuronate" + - compartment: "l" + - formula: "C6H9O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01973r" + - name: "glucuronate" + - compartment: "r" + - formula: "C6H9O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01974c" + - name: "glutamate" + - compartment: "c" + - formula: "C5H8NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01974l" + - name: "glutamate" + - compartment: "l" + - formula: "C5H8NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01974m" + - name: "glutamate" + - compartment: "m" + - formula: "C5H8NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01974r" + - name: "glutamate" + - compartment: "r" + - formula: "C5H8NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01974s" + - name: "glutamate" + - compartment: "s" + - formula: "C5H8NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01975c" + - name: "glutamine" + - compartment: "c" + - formula: "C5H10N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01975l" + - name: "glutamine" + - compartment: "l" + - formula: "C5H10N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01975m" + - name: "glutamine" + - compartment: "m" + - formula: "C5H10N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01975s" + - name: "glutamine" + - compartment: "s" + - formula: "C5H10N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01976m" + - name: "glutamyl-5-phosphate" + - compartment: "m" + - formula: "C5H8NO7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01977m" + - name: "glutaryl-CoA" + - compartment: "m" + - formula: "C26H37N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01978c" + - name: "glutathione episulfonium ion" + - compartment: "c" + - formula: "C12H18N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01979c" + - name: "glutathionyl-3-hydroxykynurenine glucoside" + - compartment: "c" + - formula: "C26H36N5O14S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01980c" + - name: "glutathionyl-leukotriene C4" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01980s" + - name: "glutathionyl-leukotriene C4" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01981c" + - name: "glyceraldehyde" + - compartment: "c" + - formula: "C3H6O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01981m" + - name: "glyceraldehyde" + - compartment: "m" + - formula: "C3H6O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01982c" + - name: "glycerate" + - compartment: "c" + - formula: "C3H5O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01982m" + - name: "glycerate" + - compartment: "m" + - formula: "C3H5O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01982s" + - name: "glycerate" + - compartment: "s" + - formula: "C3H5O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01983c" + - name: "glycerol" + - compartment: "c" + - formula: "C3H8O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01983m" + - name: "glycerol" + - compartment: "m" + - formula: "C3H8O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01983s" + - name: "glycerol" + - compartment: "s" + - formula: "C3H8O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01984s" + - name: "glycerone" + - compartment: "s" + - formula: "C3H6O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01985c" + - name: "glycinamide" + - compartment: "c" + - formula: "C2H7N2O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01986c" + - name: "glycine" + - compartment: "c" + - formula: "C2H5NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01986l" + - name: "glycine" + - compartment: "l" + - formula: "C2H5NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01986m" + - name: "glycine" + - compartment: "m" + - formula: "C2H5NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01986p" + - name: "glycine" + - compartment: "p" + - formula: "C2H5NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01986s" + - name: "glycine" + - compartment: "s" + - formula: "C2H5NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01987c" + - name: "glycochenodeoxycholate" + - compartment: "c" + - formula: "C26H43NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01987s" + - name: "glycochenodeoxycholate" + - compartment: "s" + - formula: "C26H43NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01988c" + - name: "glycocholate" + - compartment: "c" + - formula: "C26H43NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01988s" + - name: "glycocholate" + - compartment: "s" + - formula: "C26H43NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01989c" + - name: "glycodeoxycholate" + - compartment: "c" + - formula: "C26H43NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01989s" + - name: "glycodeoxycholate" + - compartment: "s" + - formula: "C26H43NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01990c" + - name: "glycogenin G11" + - compartment: "c" + - formula: "C1845H2835N455O583S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01991c" + - name: "glycogenin G4G4" + - compartment: "c" + - formula: "C1827H2805N455O568S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01992c" + - name: "glycogenin G4G7" + - compartment: "c" + - formula: "C1845H2835N455O583S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01993c" + - name: "glycogenin G7" + - compartment: "c" + - formula: "C1821H2795N455O563S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01994c" + - name: "glycogenin G7G1" + - compartment: "c" + - formula: "C1827H2805N455O568S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01995c" + - name: "glycogenin G8" + - compartment: "c" + - formula: "C1827H2805N455O568S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01996c" + - name: "glycogenin" + - compartment: "c" + - formula: "C1779H2725N455O528S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01997c" + - name: "glycolaldehyde" + - compartment: "c" + - formula: "C2H4O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01997m" + - name: "glycolaldehyde" + - compartment: "m" + - formula: "C2H4O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01998c" + - name: "glycolate" + - compartment: "c" + - formula: "C2H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01998m" + - name: "glycolate" + - compartment: "m" + - formula: "C2H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01998p" + - name: "glycolate" + - compartment: "p" + - formula: "C2H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01999c" + - name: "glycolipid" + - compartment: "c" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01999g" + - name: "glycolipid" + - compartment: "g" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01999s" + - name: "glycolipid" + - compartment: "s" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02000c" + - name: "glycolithocholate" + - compartment: "c" + - formula: "C26H42NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02000s" + - name: "glycolithocholate" + - compartment: "s" + - formula: "C26H42NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02001r" + - name: "glycophosphatidylinositol-(GPI)-anchored-protein-precursor" + - compartment: "r" + - formula: "XY" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02001c" + - name: "glycophosphatidylinositol-(GPI)-anchored-protein-precursor" + - compartment: "c" + - formula: "XY" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02001s" + - name: "glycophosphatidylinositol-(GPI)-anchored-protein-precursor" + - compartment: "s" + - formula: "XY" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02004c" + - name: "glycoursodeoxycholate" + - compartment: "c" + - formula: "C26H43NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02004s" + - name: "glycoursodeoxycholate" + - compartment: "s" + - formula: "C26H43NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02005c" + - name: "glycylpeptide" + - compartment: "c" + - formula: "C4H7N2O3R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02006c" + - name: "glycyl-tRNA(gly)" + - compartment: "c" + - formula: "C2H5NOR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02007c" + - name: "glyoxalate" + - compartment: "c" + - formula: "C2H1O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02007m" + - name: "glyoxalate" + - compartment: "m" + - formula: "C2H1O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02007p" + - name: "glyoxalate" + - compartment: "p" + - formula: "C2H1O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02008c" + - name: "GM1" + - compartment: "c" + - formula: "C56H95N3O31R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02008g" + - name: "GM1" + - compartment: "g" + - formula: "C56H95N3O31R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02008l" + - name: "GM1" + - compartment: "l" + - formula: "C56H95N3O31R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02009g" + - name: "GM1alpha" + - compartment: "g" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02010c" + - name: "GM1b" + - compartment: "c" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02010g" + - name: "GM1b" + - compartment: "g" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02011c" + - name: "GM2" + - compartment: "c" + - formula: "C50H85N3O26R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02011g" + - name: "GM2" + - compartment: "g" + - formula: "C50H85N3O26R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02011l" + - name: "GM2" + - compartment: "l" + - formula: "C50H85N3O26R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02012c" + - name: "GM2A" + - compartment: "c" + - formula: "C940H1502N232O275S12" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02012l" + - name: "GM2A" + - compartment: "l" + - formula: "C940H1502N232O275S12" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02013l" + - name: "GM2A-GM2" + - compartment: "l" + - formula: "C990H1587N235O301S12R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02014g" + - name: "GM2alpha" + - compartment: "g" + - formula: "C49H85N3O25RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02015c" + - name: "GM3" + - compartment: "c" + - formula: "C41H72N2O20RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02015l" + - name: "GM3" + - compartment: "l" + - formula: "C41H72N2O20RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02016c" + - name: "GMP" + - compartment: "c" + - formula: "C10H12N5O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02016g" + - name: "GMP" + - compartment: "g" + - formula: "C10H12N5O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02016l" + - name: "GMP" + - compartment: "l" + - formula: "C10H12N5O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02016m" + - name: "GMP" + - compartment: "m" + - formula: "C10H12N5O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02016n" + - name: "GMP" + - compartment: "n" + - formula: "C10H12N5O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02016s" + - name: "GMP" + - compartment: "s" + - formula: "C10H12N5O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02017c" + - name: "GO3P" + - compartment: "c" + - formula: "C19H37O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02017p" + - name: "GO3P" + - compartment: "p" + - formula: "C19H37O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02018c" + - name: "GP1c" + - compartment: "c" + - formula: "C99H159N7O62RCO" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02018g" + - name: "GP1c" + - compartment: "g" + - formula: "C99H159N7O62RCO" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02018s" + - name: "GP1c" + - compartment: "s" + - formula: "C99H159N7O62RCO" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02019c" + - name: "GP1calpha" + - compartment: "c" + - formula: "C99H159N7O62RCO" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02019g" + - name: "GP1calpha" + - compartment: "g" + - formula: "C99H159N7O62RCO" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02019s" + - name: "GP1calpha" + - compartment: "s" + - formula: "C99H159N7O62RCO" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02020r" + - name: "gpi heparan sulfate" + - compartment: "r" + - formula: "C57H106N4O42P4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02021r" + - name: "gpi_prot heparan sulfate" + - compartment: "r" + - formula: "C57H106N4O42P4R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02022r" + - name: "gpi_sig" + - compartment: "r" + - formula: "Y" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02022c" + - name: "gpi_sig" + - compartment: "c" + - formula: "Y" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02022s" + - name: "gpi_sig" + - compartment: "s" + - formula: "Y" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02023c" + - name: "GQ1b" + - compartment: "c" + - formula: "C88H143N6O54RCO" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02023g" + - name: "GQ1b" + - compartment: "g" + - formula: "C88H143N6O54RCO" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02023s" + - name: "GQ1b" + - compartment: "s" + - formula: "C88H143N6O54RCO" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02024c" + - name: "GQ1balpha" + - compartment: "c" + - formula: "C88H143N6O54RCO" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02024g" + - name: "GQ1balpha" + - compartment: "g" + - formula: "C88H143N6O54RCO" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02024s" + - name: "GQ1balpha" + - compartment: "s" + - formula: "C88H143N6O54RCO" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02025c" + - name: "GQ1c" + - compartment: "c" + - formula: "C88H143N6O54RCO" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02026c" + - name: "GSH" + - compartment: "c" + - formula: "C10H16N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02026m" + - name: "GSH" + - compartment: "m" + - formula: "C10H16N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02026p" + - name: "GSH" + - compartment: "p" + - formula: "C10H16N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02026r" + - name: "GSH" + - compartment: "r" + - formula: "C10H16N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02026s" + - name: "GSH" + - compartment: "s" + - formula: "C10H16N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02027c" + - name: "GSSG" + - compartment: "c" + - formula: "C20H30N6O12S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02027m" + - name: "GSSG" + - compartment: "m" + - formula: "C20H30N6O12S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02027r" + - name: "GSSG" + - compartment: "r" + - formula: "C20H30N6O12S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02027s" + - name: "GSSG" + - compartment: "s" + - formula: "C20H30N6O12S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02028c" + - name: "GT1a" + - compartment: "c" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02028g" + - name: "GT1a" + - compartment: "g" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02028s" + - name: "GT1a" + - compartment: "s" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02029c" + - name: "GT1aalpha" + - compartment: "c" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02029g" + - name: "GT1aalpha" + - compartment: "g" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02030c" + - name: "GT1b" + - compartment: "c" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02030g" + - name: "GT1b" + - compartment: "g" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02031c" + - name: "GT1c" + - compartment: "c" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02031g" + - name: "GT1c" + - compartment: "g" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02032c" + - name: "GT2" + - compartment: "c" + - formula: "C71H117N5O41RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02032g" + - name: "GT2" + - compartment: "g" + - formula: "C71H117N5O41RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02033c" + - name: "GT3" + - compartment: "c" + - formula: "C63H104N4O36RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02033g" + - name: "GT3" + - compartment: "g" + - formula: "C63H104N4O36RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02034c" + - name: "GTP" + - compartment: "c" + - formula: "C10H12N5O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02034m" + - name: "GTP" + - compartment: "m" + - formula: "C10H12N5O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02034n" + - name: "GTP" + - compartment: "n" + - formula: "C10H12N5O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02034s" + - name: "GTP" + - compartment: "s" + - formula: "C10H12N5O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02035c" + - name: "guanidine" + - compartment: "c" + - formula: "CH5N3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02035s" + - name: "guanidine" + - compartment: "s" + - formula: "CH5N3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02036c" + - name: "guanidinoacetate" + - compartment: "c" + - formula: "C3H7N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02037c" + - name: "guanine" + - compartment: "c" + - formula: "C5H5N5O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02037s" + - name: "guanine" + - compartment: "s" + - formula: "C5H5N5O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02038c" + - name: "guanosine" + - compartment: "c" + - formula: "C10H13N5O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02038l" + - name: "guanosine" + - compartment: "l" + - formula: "C10H13N5O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02038m" + - name: "guanosine" + - compartment: "m" + - formula: "C10H13N5O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02038s" + - name: "guanosine" + - compartment: "s" + - formula: "C10H13N5O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02039c" + - name: "H+" + - compartment: "c" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02039g" + - name: "H+" + - compartment: "g" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02039l" + - name: "H+" + - compartment: "l" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02039m" + - name: "H+" + - compartment: "m" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02039n" + - name: "H+" + - compartment: "n" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02039p" + - name: "H+" + - compartment: "p" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02039r" + - name: "H+" + - compartment: "r" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02039s" + - name: "H+" + - compartment: "s" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02040c" + - name: "H2O" + - compartment: "c" + - formula: "H2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02040g" + - name: "H2O" + - compartment: "g" + - formula: "H2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02040l" + - name: "H2O" + - compartment: "l" + - formula: "H2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02040m" + - name: "H2O" + - compartment: "m" + - formula: "H2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02040n" + - name: "H2O" + - compartment: "n" + - formula: "H2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02040p" + - name: "H2O" + - compartment: "p" + - formula: "H2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02040r" + - name: "H2O" + - compartment: "r" + - formula: "H2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02040s" + - name: "H2O" + - compartment: "s" + - formula: "H2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02041c" + - name: "H2O2" + - compartment: "c" + - formula: "H2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02041l" + - name: "H2O2" + - compartment: "l" + - formula: "H2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02041m" + - name: "H2O2" + - compartment: "m" + - formula: "H2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02041n" + - name: "H2O2" + - compartment: "n" + - formula: "H2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02041p" + - name: "H2O2" + - compartment: "p" + - formula: "H2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02041r" + - name: "H2O2" + - compartment: "r" + - formula: "H2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02041s" + - name: "H2O2" + - compartment: "s" + - formula: "H2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02042c" + - name: "H2S" + - compartment: "c" + - formula: "HS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02042s" + - name: "H2S" + - compartment: "s" + - formula: "HS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02043c" + - name: "H2S2O3" + - compartment: "c" + - formula: "HO3S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02044c" + - name: "haptoglobin" + - compartment: "c" + - formula: "C2019H3126N540O606S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02044l" + - name: "haptoglobin" + - compartment: "l" + - formula: "C2019H3126N540O606S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02044s" + - name: "haptoglobin" + - compartment: "s" + - formula: "C2019H3126N540O606S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02045c" + - name: "harman" + - compartment: "c" + - formula: "C12H10N2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02046c" + - name: "HCO3-" + - compartment: "c" + - formula: "CHO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02046m" + - name: "HCO3-" + - compartment: "m" + - formula: "CHO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02046s" + - name: "HCO3-" + - compartment: "s" + - formula: "CHO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02047l" + - name: "HDL remnant" + - compartment: "l" + - formula: "C5849H10226N1057O2508P220S8R365" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02047s" + - name: "HDL remnant" + - compartment: "s" + - formula: "C5849H10226N1057O2508P220S8R365" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02048r" + - name: "HDL" + - compartment: "r" + - formula: "C10869H18346N1057O2848P220S8R525" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02048s" + - name: "HDL" + - compartment: "s" + - formula: "C10869H18346N1057O2848P220S8R525" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02049c" + - name: "heme" + - compartment: "c" + - formula: "C34H30FeN4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02049m" + - name: "heme" + - compartment: "m" + - formula: "C34H30FeN4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02049s" + - name: "heme" + - compartment: "s" + - formula: "C34H30FeN4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02050c" + - name: "hemoglobin" + - compartment: "c" + - formula: "C91H118N4O6Fe" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02050s" + - name: "hemoglobin" + - compartment: "s" + - formula: "C91H118N4O6Fe" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02051c" + - name: "heneicosanoylcarnitine" + - compartment: "c" + - formula: "C28H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02051m" + - name: "heneicosanoylcarnitine" + - compartment: "m" + - formula: "C28H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02051r" + - name: "heneicosanoylcarnitine" + - compartment: "r" + - formula: "C28H55NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02052c" + - name: "heneicosanoyl-CoA" + - compartment: "c" + - formula: "C42H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02052m" + - name: "heneicosanoyl-CoA" + - compartment: "m" + - formula: "C42H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02052r" + - name: "heneicosanoyl-CoA" + - compartment: "r" + - formula: "C42H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02053c" + - name: "henicosanoic acid" + - compartment: "c" + - formula: "C21H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02053l" + - name: "henicosanoic acid" + - compartment: "l" + - formula: "C21H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02053r" + - name: "henicosanoic acid" + - compartment: "r" + - formula: "C21H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02053s" + - name: "henicosanoic acid" + - compartment: "s" + - formula: "C21H41O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02054g" + - name: "heparan sulfate proteoglycan" + - compartment: "g" + - formula: "C79H113N5O101S12X" + - charge: -13 + - inchis: "" + - !!omap + - id: "m02054l" + - name: "heparan sulfate proteoglycan" + - compartment: "l" + - formula: "C79H113N5O101S12X" + - charge: -13 + - inchis: "" + - !!omap + - id: "m02054s" + - name: "heparan sulfate proteoglycan" + - compartment: "s" + - formula: "C79H113N5O101S12X" + - charge: -13 + - inchis: "" + - !!omap + - id: "m02055l" + - name: "heparan sulfate, degradation product 1" + - compartment: "l" + - formula: "C79H115N5O99S11" + - charge: -12 + - inchis: "" + - !!omap + - id: "m02056l" + - name: "heparan sulfate, degradation product 10" + - compartment: "l" + - formula: "C55H80N3O70S8" + - charge: -9 + - inchis: "" + - !!omap + - id: "m02057l" + - name: "heparan sulfate, degradation product 11" + - compartment: "l" + - formula: "C55H81N3O67S7" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02058l" + - name: "heparan sulfate, degradation product 12" + - compartment: "l" + - formula: "C55H82N3O64S6" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02059l" + - name: "heparan sulfate, degradation product 13" + - compartment: "l" + - formula: "C55H83N3O61S5" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02060l" + - name: "heparan sulfate, degradation product 14" + - compartment: "l" + - formula: "C57H84N3O62S5" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02061l" + - name: "heparan sulfate, degradation product 15" + - compartment: "l" + - formula: "C49H71N2O57S5" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02062l" + - name: "heparan sulfate, degradation product 16" + - compartment: "l" + - formula: "C49H72N2O54S4" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02063l" + - name: "heparan sulfate, degradation product 17" + - compartment: "l" + - formula: "C43H65N2O48S4" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02064l" + - name: "heparan sulfate, degradation product 18" + - compartment: "l" + - formula: "C43H66N2O45S3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02065l" + - name: "heparan sulfate, degradation product 19" + - compartment: "l" + - formula: "C43H67N2O42S2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02066l" + - name: "heparan sulfate, degradation product 2" + - compartment: "l" + - formula: "C79H116N5O96S10" + - charge: -11 + - inchis: "" + - !!omap + - id: "m02067l" + - name: "heparan sulfate, degradation product 20" + - compartment: "l" + - formula: "C45H68N2O43S2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02068l" + - name: "heparan sulfate, degradation product 21" + - compartment: "l" + - formula: "C37H55NO38S2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02069l" + - name: "heparan sulfate, degradation product 22" + - compartment: "l" + - formula: "C37H56NO35S" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02070l" + - name: "heparan sulfate, degradation product 23" + - compartment: "l" + - formula: "C31H49NO29S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02071l" + - name: "heparan sulfate, degradation product 24" + - compartment: "l" + - formula: "C31H50NO26" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02072l" + - name: "heparan sulfate, degradation product 25" + - compartment: "l" + - formula: "C23H37O21" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02073l" + - name: "heparan sulfate, degradation product 3" + - compartment: "l" + - formula: "C81H117N5O97S10" + - charge: -12 + - inchis: "" + - !!omap + - id: "m02074l" + - name: "heparan sulfate, degradation product 4" + - compartment: "l" + - formula: "C73H104N4O92S10" + - charge: -12 + - inchis: "" + - !!omap + - id: "m02075l" + - name: "heparan sulfate, degradation product 5" + - compartment: "l" + - formula: "C67H97N4O86S10" + - charge: -11 + - inchis: "" + - !!omap + - id: "m02076l" + - name: "heparan sulfate, degradation product 6" + - compartment: "l" + - formula: "C67H98N4O83S9" + - charge: -10 + - inchis: "" + - !!omap + - id: "m02077l" + - name: "heparan sulfate, degradation product 7" + - compartment: "l" + - formula: "C67H99N4O80S8" + - charge: -9 + - inchis: "" + - !!omap + - id: "m02078l" + - name: "heparan sulfate, degradation product 8" + - compartment: "l" + - formula: "C69H100N4O81S8" + - charge: -10 + - inchis: "" + - !!omap + - id: "m02079l" + - name: "heparan sulfate, degradation product 9" + - compartment: "l" + - formula: "C61H87N3O76S8" + - charge: -10 + - inchis: "" + - !!omap + - id: "m02080l" + - name: "heparan sulfate, free chain" + - compartment: "l" + - formula: "C79H114N5O102S12" + - charge: -13 + - inchis: "" + - !!omap + - id: "m02081g" + - name: "heparan sulfate, precursor 1" + - compartment: "g" + - formula: "C31H49NO25X" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02082g" + - name: "heparan sulfate, precursor 10" + - compartment: "g" + - formula: "C79H121N5O77S4X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02083g" + - name: "heparan sulfate, precursor 11" + - compartment: "g" + - formula: "C79H121N5O77S4X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02084g" + - name: "heparan sulfate, precursor 12" + - compartment: "g" + - formula: "C79H119N5O83S6X" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02085g" + - name: "heparan sulfate, precursor 13" + - compartment: "g" + - formula: "C79H116N5O92S9X" + - charge: -10 + - inchis: "" + - !!omap + - id: "m02086g" + - name: "heparan sulfate, precursor 14" + - compartment: "g" + - formula: "C79H115N5O95S10X" + - charge: -11 + - inchis: "" + - !!omap + - id: "m02087g" + - name: "heparan sulfate, precursor 15" + - compartment: "g" + - formula: "C79H114N5O98S11X" + - charge: -12 + - inchis: "" + - !!omap + - id: "m02088g" + - name: "heparan sulfate, precursor 2" + - compartment: "g" + - formula: "C37H56NO31X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02089g" + - name: "heparan sulfate, precursor 3" + - compartment: "g" + - formula: "C45H69N2O36X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02090g" + - name: "heparan sulfate, precursor 4" + - compartment: "g" + - formula: "C51H76N2O42X" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02091g" + - name: "heparan sulfate, precursor 5" + - compartment: "g" + - formula: "C59H89N3O47X" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02092g" + - name: "heparan sulfate, precursor 6" + - compartment: "g" + - formula: "C65H96N3O53X" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02093g" + - name: "heparan sulfate, precursor 7" + - compartment: "g" + - formula: "C73H109N4O58X" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02094g" + - name: "heparan sulfate, precursor 8" + - compartment: "g" + - formula: "C79H116N4O64X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02095g" + - name: "heparan sulfate, precursor 9" + - compartment: "g" + - formula: "C87H129N5O69X" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02096c" + - name: "hepoxilin A3" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02096p" + - name: "hepoxilin A3" + - compartment: "p" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02096r" + - name: "hepoxilin A3" + - compartment: "r" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02096s" + - name: "hepoxilin A3" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02097c" + - name: "hepoxilin A3-c" + - compartment: "c" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02097p" + - name: "hepoxilin A3-c" + - compartment: "p" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02097r" + - name: "hepoxilin A3-c" + - compartment: "r" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02098c" + - name: "hepoxilin B3" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02099c" + - name: "heptadecanoyl-[ACP]" + - compartment: "c" + - formula: "C28H53N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02100c" + - name: "heptadecanoylcarnitine" + - compartment: "c" + - formula: "C24H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02100m" + - name: "heptadecanoylcarnitine" + - compartment: "m" + - formula: "C24H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02100r" + - name: "heptadecanoylcarnitine" + - compartment: "r" + - formula: "C24H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02101c" + - name: "heptadecanoyl-CoA" + - compartment: "c" + - formula: "C38H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02101m" + - name: "heptadecanoyl-CoA" + - compartment: "m" + - formula: "C38H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02101r" + - name: "heptadecanoyl-CoA" + - compartment: "r" + - formula: "C38H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02102c" + - name: "heptadecenoylcarnitine(7)" + - compartment: "c" + - formula: "C24H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02102m" + - name: "heptadecenoylcarnitine(7)" + - compartment: "m" + - formula: "C24H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02102r" + - name: "heptadecenoylcarnitine(7)" + - compartment: "r" + - formula: "C24H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02103c" + - name: "heptadecenoylcarnitine(8)" + - compartment: "c" + - formula: "C24H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02103m" + - name: "heptadecenoylcarnitine(8)" + - compartment: "m" + - formula: "C24H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02103r" + - name: "heptadecenoylcarnitine(8)" + - compartment: "r" + - formula: "C24H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02104c" + - name: "heptaglutamyl-folate(DHF)" + - compartment: "c" + - formula: "C49H55N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02104l" + - name: "heptaglutamyl-folate(DHF)" + - compartment: "l" + - formula: "C49H55N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02104m" + - name: "heptaglutamyl-folate(DHF)" + - compartment: "m" + - formula: "C49H55N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02104s" + - name: "heptaglutamyl-folate(DHF)" + - compartment: "s" + - formula: "C49H55N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02105c" + - name: "heptaglutamyl-folate(THF)" + - compartment: "c" + - formula: "C49H57N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02105l" + - name: "heptaglutamyl-folate(THF)" + - compartment: "l" + - formula: "C49H57N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02105m" + - name: "heptaglutamyl-folate(THF)" + - compartment: "m" + - formula: "C49H57N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02105s" + - name: "heptaglutamyl-folate(THF)" + - compartment: "s" + - formula: "C49H57N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02106c" + - name: "heptanoyl-[ACP]" + - compartment: "c" + - formula: "C18H33N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02107c" + - name: "heptanoyl-CoA" + - compartment: "c" + - formula: "C28H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02107m" + - name: "heptanoyl-CoA" + - compartment: "m" + - formula: "C28H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02108c" + - name: "heptylic acid" + - compartment: "c" + - formula: "C7H13O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02108s" + - name: "heptylic acid" + - compartment: "s" + - formula: "C7H13O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02109c" + - name: "hexacosanoylcarnitine" + - compartment: "c" + - formula: "C33H65NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02109r" + - name: "hexacosanoylcarnitine" + - compartment: "r" + - formula: "C33H65NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02110c" + - name: "hexacosanoyl-CoA" + - compartment: "c" + - formula: "C47H82N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02110p" + - name: "hexacosanoyl-CoA" + - compartment: "p" + - formula: "C47H82N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02110r" + - name: "hexacosanoyl-CoA" + - compartment: "r" + - formula: "C47H82N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02111c" + - name: "hexacosenoylcarnitine" + - compartment: "c" + - formula: "C33H63NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02111r" + - name: "hexacosenoylcarnitine" + - compartment: "r" + - formula: "C33H63NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02112c" + - name: "hexacosenoyl-CoA" + - compartment: "c" + - formula: "C47H80N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02112p" + - name: "hexacosenoyl-CoA" + - compartment: "p" + - formula: "C47H80N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02112r" + - name: "hexacosenoyl-CoA" + - compartment: "r" + - formula: "C47H80N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02113c" + - name: "hexadecanal" + - compartment: "c" + - formula: "C16H32O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02113r" + - name: "hexadecanal" + - compartment: "r" + - formula: "C16H32O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02114p" + - name: "hexadecanol" + - compartment: "p" + - formula: "C16H34O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02115c" + - name: "hexadecanoyl-[ACP]" + - compartment: "c" + - formula: "C27H51N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02116c" + - name: "hexadecenal" + - compartment: "c" + - formula: "C16H30O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02117c" + - name: "hexadecenoylcarnitine(9)" + - compartment: "c" + - formula: "C23H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02117m" + - name: "hexadecenoylcarnitine(9)" + - compartment: "m" + - formula: "C23H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02117r" + - name: "hexadecenoylcarnitine(9)" + - compartment: "r" + - formula: "C23H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02118c" + - name: "hexaglutamyl-folate(DHF)" + - compartment: "c" + - formula: "C44H49N12O21" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02118l" + - name: "hexaglutamyl-folate(DHF)" + - compartment: "l" + - formula: "C44H49N12O21" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02118m" + - name: "hexaglutamyl-folate(DHF)" + - compartment: "m" + - formula: "C44H49N12O21" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02118s" + - name: "hexaglutamyl-folate(DHF)" + - compartment: "s" + - formula: "C44H49N12O21" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02119c" + - name: "hexaglutamyl-folate(THF)" + - compartment: "c" + - formula: "C44H51N12O21" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02119l" + - name: "hexaglutamyl-folate(THF)" + - compartment: "l" + - formula: "C44H51N12O21" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02119m" + - name: "hexaglutamyl-folate(THF)" + - compartment: "m" + - formula: "C44H51N12O21" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02119s" + - name: "hexaglutamyl-folate(THF)" + - compartment: "s" + - formula: "C44H51N12O21" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02120c" + - name: "hexanoic acid" + - compartment: "c" + - formula: "C6H11O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02120s" + - name: "hexanoic acid" + - compartment: "s" + - formula: "C6H11O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02121c" + - name: "hexanoyl-[ACP]" + - compartment: "c" + - formula: "C17H31N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02122c" + - name: "hexanoyl-CoA" + - compartment: "c" + - formula: "C27H42N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02122m" + - name: "hexanoyl-CoA" + - compartment: "m" + - formula: "C27H42N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02122p" + - name: "hexanoyl-CoA" + - compartment: "p" + - formula: "C27H42N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02123c" + - name: "hippurate" + - compartment: "c" + - formula: "C9H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02124c" + - name: "histamine" + - compartment: "c" + - formula: "C5H10N3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02124s" + - name: "histamine" + - compartment: "s" + - formula: "C5H10N3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02125c" + - name: "histidine" + - compartment: "c" + - formula: "C6H9N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02125l" + - name: "histidine" + - compartment: "l" + - formula: "C6H9N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02125m" + - name: "histidine" + - compartment: "m" + - formula: "C6H9N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02125s" + - name: "histidine" + - compartment: "s" + - formula: "C6H9N3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02126c" + - name: "histidyl-prolinamide" + - compartment: "c" + - formula: "C11H18N5O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02127c" + - name: "histone-L-lysine" + - compartment: "c" + - formula: "C7H14N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02127n" + - name: "histone-L-lysine" + - compartment: "n" + - formula: "C7H14N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02128c" + - name: "histone-N6-acetyl-L-lysine" + - compartment: "c" + - formula: "C9H15N3O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02129n" + - name: "histone-N6-methyl-L-lysine" + - compartment: "n" + - formula: "C8H16N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02130c" + - name: "HMA" + - compartment: "c" + - formula: "C25H47N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02131c" + - name: "HMG-CoA" + - compartment: "c" + - formula: "C27H39N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02131m" + - name: "HMG-CoA" + - compartment: "m" + - formula: "C27H39N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02131p" + - name: "HMG-CoA" + - compartment: "p" + - formula: "C27H39N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02132c" + - name: "homocarnosine" + - compartment: "c" + - formula: "C10H15N4O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02133c" + - name: "homocysteine" + - compartment: "c" + - formula: "C4H9NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02134c" + - name: "homocysteine-thiolactone" + - compartment: "c" + - formula: "C4H8NOS" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02135c" + - name: "homogentisate" + - compartment: "c" + - formula: "C8H7O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02136c" + - name: "homoserine" + - compartment: "c" + - formula: "C4H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02136s" + - name: "homoserine" + - compartment: "s" + - formula: "C4H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02137c" + - name: "homovanillate" + - compartment: "c" + - formula: "C9H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02137s" + - name: "homovanillate" + - compartment: "s" + - formula: "C9H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02138c" + - name: "hordenine" + - compartment: "c" + - formula: "C10H16NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02139l" + - name: "hyaluronan biosynthesis, precursor 1" + - compartment: "l" + - formula: "C14H20NO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02139s" + - name: "hyaluronan biosynthesis, precursor 1" + - compartment: "s" + - formula: "C14H20NO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02140l" + - name: "hyaluronan degradation product 1" + - compartment: "l" + - formula: "C22H33N2O16" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02141l" + - name: "hyaluronate" + - compartment: "l" + - formula: "C28H40N2O22" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02141s" + - name: "hyaluronate" + - compartment: "s" + - formula: "C28H40N2O22" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02142m" + - name: "hydracrylate" + - compartment: "m" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02143c" + - name: "hydrobromic acid" + - compartment: "c" + - formula: "Br" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02144c" + - name: "hydrochloride" + - compartment: "c" + - formula: "HCl" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02145c" + - name: "hydrogen-cyanide" + - compartment: "c" + - formula: "CHN" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02145m" + - name: "hydrogen-cyanide" + - compartment: "m" + - formula: "CHN" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02145s" + - name: "hydrogen-cyanide" + - compartment: "s" + - formula: "CHN" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02146c" + - name: "hydroiodic acid" + - compartment: "c" + - formula: "I" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02147c" + - name: "hydroxide" + - compartment: "c" + - formula: "HO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02147m" + - name: "hydroxide" + - compartment: "m" + - formula: "HO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02147s" + - name: "hydroxide" + - compartment: "s" + - formula: "HO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02148c" + - name: "hydroxyacetone" + - compartment: "c" + - formula: "C3H6O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02149c" + - name: "hydroxyl radical" + - compartment: "c" + - formula: "HO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02150c" + - name: "hydroxylated-ebastine" + - compartment: "c" + - formula: "C32H39NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02150r" + - name: "hydroxylated-ebastine" + - compartment: "r" + - formula: "C32H39NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02150s" + - name: "hydroxylated-ebastine" + - compartment: "s" + - formula: "C32H39NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02151c" + - name: "hydroxymethylbilane" + - compartment: "c" + - formula: "C40H38N4O17" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02152c" + - name: "hydroxymethylglutathione" + - compartment: "c" + - formula: "C11H18N3O7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02153c" + - name: "hydroxy-nifedipine" + - compartment: "c" + - formula: "C17H18N2O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02153s" + - name: "hydroxy-nifedipine" + - compartment: "s" + - formula: "C17H18N2O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02154c" + - name: "hydroxypyruvate" + - compartment: "c" + - formula: "C3H3O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02154m" + - name: "hydroxypyruvate" + - compartment: "m" + - formula: "C3H3O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02154p" + - name: "hydroxypyruvate" + - compartment: "p" + - formula: "C3H3O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02155c" + - name: "hyodeoxycholate" + - compartment: "c" + - formula: "C24H40O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02155s" + - name: "hyodeoxycholate" + - compartment: "s" + - formula: "C24H40O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02156c" + - name: "hypochlorite" + - compartment: "c" + - formula: "ClHO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02157c" + - name: "hypotaurine" + - compartment: "c" + - formula: "C2H7NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02158c" + - name: "hypothiocyanite" + - compartment: "c" + - formula: "CHNOS" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02159c" + - name: "hypoxanthine" + - compartment: "c" + - formula: "C5H4N4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02159p" + - name: "hypoxanthine" + - compartment: "p" + - formula: "C5H4N4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02159s" + - name: "hypoxanthine" + - compartment: "s" + - formula: "C5H4N4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02161c" + - name: "IDP" + - compartment: "c" + - formula: "C10H11N4O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02161m" + - name: "IDP" + - compartment: "m" + - formula: "C10H11N4O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02161n" + - name: "IDP" + - compartment: "n" + - formula: "C10H11N4O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02161s" + - name: "IDP" + - compartment: "s" + - formula: "C10H11N4O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02162c" + - name: "III3,IV2Fuc-nLc4Cer" + - compartment: "c" + - formula: "C57H99N2O31R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02163c" + - name: "III3Fuc-nLc4Cer" + - compartment: "c" + - formula: "C51H89N2O27R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02164c" + - name: "III3Fuc-nLc6Cer" + - compartment: "c" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02164g" + - name: "III3Fuc-nLc6Cer" + - compartment: "g" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02164s" + - name: "III3Fuc-nLc6Cer" + - compartment: "s" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02165c" + - name: "imidazole-4-acetaldehyde" + - compartment: "c" + - formula: "C5H6N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02165m" + - name: "imidazole-4-acetaldehyde" + - compartment: "m" + - formula: "C5H6N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02166c" + - name: "imidazole-4-acetate" + - compartment: "c" + - formula: "C5H5N2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02166m" + - name: "imidazole-4-acetate" + - compartment: "m" + - formula: "C5H5N2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02167c" + - name: "IMP" + - compartment: "c" + - formula: "C10H11N4O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02167m" + - name: "IMP" + - compartment: "m" + - formula: "C10H11N4O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02167s" + - name: "IMP" + - compartment: "s" + - formula: "C10H11N4O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02168c" + - name: "indole-3-acetaldehyde" + - compartment: "c" + - formula: "C10H9NO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02168m" + - name: "indole-3-acetaldehyde" + - compartment: "m" + - formula: "C10H9NO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02169c" + - name: "indoleacetate" + - compartment: "c" + - formula: "C10H8NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02169m" + - name: "indoleacetate" + - compartment: "m" + - formula: "C10H8NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02170c" + - name: "inosine" + - compartment: "c" + - formula: "C10H12N4O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02170m" + - name: "inosine" + - compartment: "m" + - formula: "C10H12N4O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02170s" + - name: "inosine" + - compartment: "s" + - formula: "C10H12N4O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02171c" + - name: "inositol" + - compartment: "c" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02171r" + - name: "inositol" + - compartment: "r" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02171s" + - name: "inositol" + - compartment: "s" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02172c" + - name: "inositol-1,3-bisphosphate" + - compartment: "c" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02173c" + - name: "inositol-1-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02173n" + - name: "inositol-1-phosphate" + - compartment: "n" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02174c" + - name: "iodide" + - compartment: "c" + - formula: "I" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02174r" + - name: "iodide" + - compartment: "r" + - formula: "I" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02174s" + - name: "iodide" + - compartment: "s" + - formula: "I" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02175c" + - name: "iodine" + - compartment: "c" + - formula: "I2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02176c" + - name: "iso-A2E(11-cis)" + - compartment: "c" + - formula: "C42H58NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02177c" + - name: "iso-A2E(13-cis)" + - compartment: "c" + - formula: "C42H58NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02178c" + - name: "iso-A2E(9,13-di-cis)" + - compartment: "c" + - formula: "C42H58NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02179c" + - name: "iso-A2E(9-cis)" + - compartment: "c" + - formula: "C42H58NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02180m" + - name: "isobutyryl-CoA" + - compartment: "m" + - formula: "C25H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02181m" + - name: "isobutyrylglycine" + - compartment: "m" + - formula: "C6H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02182c" + - name: "isocaproic-aldehyde" + - compartment: "c" + - formula: "C6H12O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02182m" + - name: "isocaproic-aldehyde" + - compartment: "m" + - formula: "C6H12O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02182s" + - name: "isocaproic-aldehyde" + - compartment: "s" + - formula: "C6H12O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02183c" + - name: "isocitrate" + - compartment: "c" + - formula: "C6H5O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02183m" + - name: "isocitrate" + - compartment: "m" + - formula: "C6H5O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02183p" + - name: "isocitrate" + - compartment: "p" + - formula: "C6H5O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02184c" + - name: "isoleucine" + - compartment: "c" + - formula: "C6H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02184l" + - name: "isoleucine" + - compartment: "l" + - formula: "C6H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02184m" + - name: "isoleucine" + - compartment: "m" + - formula: "C6H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02184s" + - name: "isoleucine" + - compartment: "s" + - formula: "C6H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02185s" + - name: "isomaltose" + - compartment: "s" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02186c" + - name: "iso-nLc8Cer" + - compartment: "c" + - formula: "C73H125N4O43R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02187c" + - name: "isopentenyl-pPP" + - compartment: "c" + - formula: "C5H9O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02187p" + - name: "isopentenyl-pPP" + - compartment: "p" + - formula: "C5H9O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02188c" + - name: "isoputreanine" + - compartment: "c" + - formula: "C7H17N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02189m" + - name: "isovaleryl-CoA" + - compartment: "m" + - formula: "C26H40N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02190m" + - name: "isovalerylglycine" + - compartment: "m" + - formula: "C7H12NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02191c" + - name: "itaconate" + - compartment: "c" + - formula: "C5H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02191m" + - name: "itaconate" + - compartment: "m" + - formula: "C5H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02191s" + - name: "itaconate" + - compartment: "s" + - formula: "C5H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02192m" + - name: "itaconyl-CoA" + - compartment: "m" + - formula: "C26H35N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02193c" + - name: "ITP" + - compartment: "c" + - formula: "C10H11N4O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02193m" + - name: "ITP" + - compartment: "m" + - formula: "C10H11N4O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02193n" + - name: "ITP" + - compartment: "n" + - formula: "C10H11N4O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02193s" + - name: "ITP" + - compartment: "s" + - formula: "C10H11N4O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02194c" + - name: "IV2Fuc,III4Fuc-Lc4Cer" + - compartment: "c" + - formula: "C57H99N2O31R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02195c" + - name: "IV2Fuc-Lc4Cer" + - compartment: "c" + - formula: "C50H89N2O26RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02196c" + - name: "IV2Fuc-nLc4Cer" + - compartment: "c" + - formula: "C51H89N2O27R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02197c" + - name: "IV3GalNAca-Gb4Cer" + - compartment: "c" + - formula: "C53H92N3O28R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02198c" + - name: "IV3Neu5Ac,III4Fuc-Lc4Cer" + - compartment: "c" + - formula: "C61H105N3O34RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02198g" + - name: "IV3Neu5Ac,III4Fuc-Lc4Cer" + - compartment: "g" + - formula: "C61H105N3O34RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02198s" + - name: "IV3Neu5Ac,III4Fuc-Lc4Cer" + - compartment: "s" + - formula: "C61H105N3O34RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02199c" + - name: "IV3NeuAc,III3Fuc-nLc4Cer" + - compartment: "c" + - formula: "C61H105N3O34RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02199g" + - name: "IV3NeuAc,III3Fuc-nLc4Cer" + - compartment: "g" + - formula: "C61H105N3O34RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02199s" + - name: "IV3NeuAc,III3Fuc-nLc4Cer" + - compartment: "s" + - formula: "C61H105N3O34RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02200c" + - name: "K+" + - compartment: "c" + - formula: "K" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02200g" + - name: "K+" + - compartment: "g" + - formula: "K" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02200s" + - name: "K+" + - 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compartment: "c" + - formula: "C56H87N17O11" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02318s" + - name: "kinetensin" + - compartment: "s" + - formula: "C56H87N17O11" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02319c" + - name: "kynurenine" + - compartment: "c" + - formula: "C10H12N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02320c" + - name: "L-1-pyrroline-3-hydroxy-5-carboxylate" + - compartment: "c" + - formula: "C5H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02320m" + - name: "L-1-pyrroline-3-hydroxy-5-carboxylate" + - compartment: "m" + - formula: "C5H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02321m" + - name: "L-2-amino-3-oxobutanoic acid" + - compartment: "m" + - formula: "C4H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02322c" + - name: "L-2-aminoadipate" + - compartment: "c" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02322m" + - name: "L-2-aminoadipate" + - compartment: "m" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02323g" + - name: "l2fn2m2masn" + - compartment: "g" + - formula: "C68H113N4O49X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02324l" + - name: "l2n2m2mn" + - compartment: "l" + - formula: "C54H91N3O41" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02325c" + - name: "L-3-amino-isobutanoate" + - compartment: "c" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02325m" + - name: "L-3-amino-isobutanoate" + - compartment: "m" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02325s" + - name: "L-3-amino-isobutanoate" + - compartment: "s" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02326s" + - name: "L-3-cyanoalanine" + - compartment: "s" + - formula: "C4H5N2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02327m" + - name: "L-4-hydroxyglutamate semialdehyde" + - compartment: "m" + - formula: "C5H9NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02328c" + - name: "LacCer pool" + - compartment: "c" + - formula: "C31H56NO13R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02328g" + - name: "LacCer pool" + - compartment: "g" + - formula: "C31H56NO13R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02328l" + - name: "LacCer pool" + - compartment: "l" + - formula: "C31H56NO13R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02328r" + - name: "LacCer pool" + - compartment: "r" + - formula: "C31H56NO13R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02328s" + - name: "LacCer pool" + - compartment: "s" + - formula: "C31H56NO13R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02329c" + - name: "lactaldehyde" + - compartment: "c" + - formula: "C3H6O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02329m" + - name: "lactaldehyde" + - compartment: "m" + - formula: "C3H6O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02330g" + - name: "lactoneotetraosylceramide" + - compartment: "g" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02331c" + - name: "lacto-N-fucopentaosyl-III-ceramide" + - compartment: "c" + - formula: "C50H89N2O26RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02331g" + - name: "lacto-N-fucopentaosyl-III-ceramide" + - compartment: "g" + - formula: "C50H89N2O26RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02331s" + - name: "lacto-N-fucopentaosyl-III-ceramide" + - compartment: "s" + - formula: "C50H89N2O26RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02332c" + - name: "lactose" + - compartment: "c" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02332g" + - name: "lactose" + - compartment: "g" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02332l" + - name: "lactose" + - compartment: "l" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02332s" + - name: "lactose" + - compartment: "s" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02333s" + - name: "lactose-6-phosphate" + - compartment: "s" + - formula: "C12H21O14P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02335c" + - name: "L-alanyl-tRNA(ala)" + - compartment: "c" + - formula: "C3H7NOR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02336c" + - name: "lanosterol" + - compartment: "c" + - formula: "C30H50O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02337c" + - name: "L-arabinose" + - compartment: "c" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02337s" + - name: "L-arabinose" + - compartment: "s" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02338c" + - name: "L-arabitol" + - compartment: "c" + - formula: "C5H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02338s" + - name: "L-arabitol" + - compartment: "s" + - formula: "C5H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02339c" + - name: "L-arginyl-protein" + - compartment: "c" + - formula: "C6H13N4OX" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02340c" + - name: "L-arginyl-tRNA(arg)" + - compartment: "c" + - formula: "C6H15N4OR" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02341c" + - name: "L-asparaginyl-tRNA(asn)" + - compartment: "c" + - formula: "C4H8N2O2R" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02342c" + - name: "L-aspartyl-tRNA(asp)" + - compartment: "c" + - formula: "C4H6NO3R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02343c" + - name: "lathosterol" + - compartment: "c" + - formula: "C27H46O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02344c" + - name: "lauric acid" + - compartment: "c" + - formula: "C12H23O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02344l" + - name: "lauric acid" + - compartment: "l" + - formula: "C12H23O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02344r" + - name: "lauric acid" + - compartment: "r" + - formula: "C12H23O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02344s" + - name: "lauric acid" + - compartment: "s" + - formula: "C12H23O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02345c" + - name: "lauroyl-CoA" + - compartment: "c" + - formula: "C33H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02345m" + - name: "lauroyl-CoA" + - compartment: "m" + - formula: "C33H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02345p" + - name: "lauroyl-CoA" + - compartment: "p" + - formula: "C33H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02345r" + - name: "lauroyl-CoA" + - compartment: "r" + - formula: "C33H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02346c" + - name: "lc3Cer" + - compartment: "c" + - formula: "C38H69N2O17RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02346g" + - name: "lc3Cer" + - compartment: "g" + - formula: "C38H69N2O17RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02347c" + - name: "lc4Cer" + - compartment: "c" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02347g" + - name: "lc4Cer" + - compartment: "g" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02348c" + - name: "L-carnitine" + - compartment: "c" + - formula: "C7H15NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02348m" + - name: "L-carnitine" + - compartment: "m" + - formula: "C7H15NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02348p" + - name: "L-carnitine" + - compartment: "p" + - formula: "C7H15NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02348r" + - name: "L-carnitine" + - compartment: "r" + - formula: "C7H15NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02348s" + - name: "L-carnitine" + - compartment: "s" + - formula: "C7H15NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02349c" + - name: "L-cystathionine" + - compartment: "c" + - formula: "C7H14N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02349m" + - name: "L-cystathionine" + - compartment: "m" + - formula: "C7H14N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02350c" + - name: "L-cysteate" + - compartment: "c" + - formula: "C3H6NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02350m" + - name: "L-cysteate" + - compartment: "m" + - formula: "C3H6NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02351c" + - name: "L-cysteinyl-tRNA(cys)" + - compartment: "c" + - formula: "C3H7NOSR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02352l" + - name: "LDL remnant" + - compartment: "l" + - formula: "C33247H54819N7242O13369P860S104R1315" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02352s" + - name: "LDL remnant" + - compartment: "s" + - formula: "C33247H54819N7242O13369P860S104R1315" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02353r" + - name: "LDL" + - compartment: "r" + - formula: "C94027H154274N7242O17079P860S104R2830" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02353s" + - name: "LDL" + - compartment: "s" + - formula: "C94027H154274N7242O17079P860S104R2830" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02354c" + - name: "L-dopa" + - compartment: "c" + - formula: "C9H11NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02354s" + - name: "L-dopa" + - compartment: "s" + - formula: "C9H11NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02355c" + - name: "L-dopachrome" + - compartment: "c" + - formula: "C9H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02356c" + - name: "L-dopaquinone" + - compartment: "c" + - formula: "C9H9NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02357c" + - name: "lepidimoide" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02357s" + - name: "lepidimoide" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02358m" + - name: "L-erythro-4-hydroxyglutamate" + - compartment: "m" + - formula: "C5H8NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02359c" + - name: "L-erythrulose" + - compartment: "c" + - formula: "C4H8O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02360c" + - name: "leucine" + - compartment: "c" + - formula: "C6H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02360l" + - name: "leucine" + - compartment: "l" + - formula: "C6H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02360m" + - name: "leucine" + - compartment: "m" + - formula: "C6H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02360s" + - name: "leucine" + - compartment: "s" + - formula: "C6H13NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02361c" + - name: "leukoaminochrome" + - compartment: "c" + - formula: "C8H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02362c" + - name: "leukotriene A4" + - compartment: "c" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02362n" + - name: "leukotriene A4" + - compartment: "n" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02362r" + - name: "leukotriene A4" + - compartment: "r" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02362s" + - name: "leukotriene A4" + - compartment: "s" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02363c" + - name: "leukotriene A5" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02364c" + - name: "leukotriene B4" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02364m" + - name: "leukotriene B4" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02364p" + - name: "leukotriene B4" + - compartment: "p" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02364r" + - name: "leukotriene B4" + - compartment: "r" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02364s" + - name: "leukotriene B4" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02365c" + - name: "leukotriene B5" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02365r" + - name: "leukotriene B5" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02366c" + - name: "leukotriene C4" + - compartment: "c" + - formula: "C30H45N3O9S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02366r" + - name: "leukotriene C4" + - compartment: "r" + - formula: "C30H45N3O9S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02366s" + - name: "leukotriene C4" + - compartment: "s" + - formula: "C30H45N3O9S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02367c" + - name: "leukotriene C5" + - compartment: "c" + - formula: "C30H43N3O9S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02368c" + - name: "leukotriene D5" + - compartment: "c" + - formula: "C25H37N2O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02369c" + - name: "leukotriene E4" + - compartment: "c" + - formula: "C23H36NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02369n" + - name: "leukotriene E4" + - compartment: "n" + - formula: "C23H36NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02369p" + - name: "leukotriene E4" + - compartment: "p" + - formula: "C23H36NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02369s" + - name: "leukotriene E4" + - compartment: "s" + - formula: "C23H36NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02370c" + - name: "leukotriene F4" + - compartment: "c" + - formula: "C28H42N2O8S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02370s" + - name: "leukotriene F4" + - compartment: "s" + - formula: "C28H42N2O8S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02371c" + - name: "L-formylkynurenine" + - compartment: "c" + - formula: "C11H12N2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02373c" + - name: "L-fuculose" + - compartment: "c" + - formula: "C6H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02374c" + - name: "L-glutamate 5-semialdehyde" + - compartment: "c" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02374m" + - name: "L-glutamate 5-semialdehyde" + - compartment: "m" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02375c" + - name: "L-glutaminyl-peptide" + - compartment: "c" + - formula: "C9H14N4O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02376c" + - name: "L-glutaminyl-tRNA(gln)" + - compartment: "c" + - formula: "C5H10N2O2R" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02377c" + - name: "L-glutamyl-tRNA(glu)" + - compartment: "c" + - formula: "C5H8NO3R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02378c" + - name: "L-gulonate" + - compartment: "c" + - formula: "C6H11O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02378r" + - name: "L-gulonate" + - compartment: "r" + - formula: "C6H11O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02379c" + - name: "L-gulono-1,4-lactone" + - compartment: "c" + - formula: "C6H10O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02379r" + - name: "L-gulono-1,4-lactone" + - compartment: "r" + - formula: "C6H10O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02380c" + - name: "L-histidyl-tRNA(his)" + - compartment: "c" + - formula: "C6H9N3OR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02381c" + - name: "L-hydroxylysine" + - compartment: "c" + - formula: "C6H14N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02382c" + - name: "Li+" + - compartment: "c" + - formula: "Li" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02382s" + - name: "Li+" + - compartment: "s" + - formula: "Li" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02383c" + - name: "L-iditol" + - compartment: "c" + - formula: "C6H14O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02384c" + - name: "L-iduronic acid" + - compartment: "c" + - formula: "C6H9O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02384l" + - name: "L-iduronic acid" + - compartment: "l" + - formula: "C6H9O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02384s" + - name: "L-iduronic acid" + - compartment: "s" + - formula: "C6H9O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02385c" + - name: "lignocerate" + - compartment: "c" + - formula: "C24H47O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02385l" + - name: "lignocerate" + - compartment: "l" + - formula: "C24H47O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02385r" + - name: "lignocerate" + - compartment: "r" + - formula: "C24H47O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02385s" + - name: "lignocerate" + - compartment: "s" + - formula: "C24H47O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02386c" + - name: "limonene" + - compartment: "c" + - formula: "C10H16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02386s" + - name: "limonene" + - compartment: "s" + - formula: "C10H16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02387c" + - name: "linoleate" + - compartment: "c" + - formula: "C18H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02387l" + - name: "linoleate" + - compartment: "l" + - formula: "C18H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02387r" + - name: "linoleate" + - compartment: "r" + - formula: "C18H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02387s" + - name: "linoleate" + - compartment: "s" + - formula: "C18H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02388c" + - name: "linoleic-carnitine" + - compartment: "c" + - formula: "C25H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02388m" + - name: "linoleic-carnitine" + - compartment: "m" + - formula: "C25H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02388r" + - name: "linoleic-carnitine" + - compartment: "r" + - formula: "C25H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02389c" + - name: "linolenate" + - compartment: "c" + - formula: "C18H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02389l" + - name: "linolenate" + - compartment: "l" + - formula: "C18H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02389r" + - name: "linolenate" + - compartment: "r" + - formula: "C18H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02389s" + - name: "linolenate" + - compartment: "s" + - formula: "C18H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02390c" + - name: "linolenoyl-CoA" + - compartment: "c" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02390m" + - name: "linolenoyl-CoA" + - compartment: "m" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02390r" + - name: "linolenoyl-CoA" + - compartment: "r" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02391c" + - name: "linoleoyl-CoA" + - compartment: "c" + - formula: "C39H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02391m" + - name: "linoleoyl-CoA" + - compartment: "m" + - formula: "C39H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02391p" + - name: "linoleoyl-CoA" + - compartment: "p" + - formula: "C39H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02391r" + - name: "linoleoyl-CoA" + - compartment: "r" + - formula: "C39H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02392c" + - name: "lipid droplet" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02393m" + - name: "lipoamide" + - compartment: "m" + - formula: "C8H15NOS2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02394c" + - name: "lipoic acid" + - compartment: "c" + - formula: "C8H13O2S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02394s" + - name: "lipoic acid" + - compartment: "s" + - formula: "C8H13O2S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02395c" + - name: "lipoxin A4" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02395n" + - name: "lipoxin A4" + - compartment: "n" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02395p" + - name: "lipoxin A4" + - compartment: "p" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02395r" + - name: "lipoxin A4" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02396c" + - name: "lipoxin B4" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02396n" + - name: "lipoxin B4" + - compartment: "n" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02396p" + - name: "lipoxin B4" + - compartment: "p" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02396r" + - name: "lipoxin B4" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02397c" + - name: "lipoyl-[ACP]" + - compartment: "c" + - formula: "C19H33N2O8PRS3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02398c" + - name: "lipoyl-AMP" + - compartment: "c" + - formula: "C18H25N5O8PS2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02399c" + - name: "lipoyllysine" + - compartment: "c" + - formula: "C14H26N2O3S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02400m" + - name: "lipoylprotein" + - compartment: "m" + - formula: "S2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02401c" + - name: "L-isoleucyl-tRNA(ile)" + - compartment: "c" + - formula: "C6H13NOR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02402c" + - name: "lithocholate" + - compartment: "c" + - formula: "C24H39O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02402p" + - name: "lithocholate" + - compartment: "p" + - formula: "C24H39O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02402r" + - name: "lithocholate" + - compartment: "r" + - formula: "C24H39O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02402s" + - name: "lithocholate" + - compartment: "s" + - formula: "C24H39O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02403c" + - name: "L-lactate" + - compartment: "c" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02403m" + - name: "L-lactate" + - compartment: "m" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02403p" + - name: "L-lactate" + - compartment: "p" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02403s" + - name: "L-lactate" + - compartment: "s" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02404c" + - name: "L-leucyl-tRNA(leu)" + - compartment: "c" + - formula: "C6H13NOR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02405c" + - name: "L-lysyl-tRNA(lys)" + - compartment: "c" + - formula: "C6H15N2OR" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02406c" + - name: "L-lyxonate" + - compartment: "c" + - formula: "C5H9O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02407c" + - name: "L-metanephrine" + - compartment: "c" + - formula: "C10H16NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02407s" + - name: "L-metanephrine" + - compartment: "s" + - formula: "C10H16NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02408c" + - name: "L-methionyl-tRNA(met)" + - compartment: "c" + - formula: "C5H11NOSR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02409c" + - name: "L-octanoylcarnitine" + - compartment: "c" + - formula: "C15H29NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02409m" + - name: "L-octanoylcarnitine" + - compartment: "m" + - formula: "C15H29NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02409p" + - name: "L-octanoylcarnitine" + - compartment: "p" + - formula: "C15H29NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02410c" + - name: "L-oleoylcarnitine" + - compartment: "c" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02410m" + - name: "L-oleoylcarnitine" + - compartment: "m" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02410r" + - name: "L-oleoylcarnitine" + - compartment: "r" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02411c" + - name: "L-palmitoylcarnitine" + - compartment: "c" + - formula: "C23H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02411m" + - name: "L-palmitoylcarnitine" + - compartment: "m" + - formula: "C23H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02411r" + - name: "L-palmitoylcarnitine" + - compartment: "r" + - formula: "C23H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02412c" + - name: "L-phenylalanyl-tRNA(phe)" + - compartment: "c" + - formula: "C9H11NOR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02413p" + - name: "L-pipecolate" + - compartment: "p" + - formula: "C6H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02414c" + - name: "LPL" + - compartment: "c" + - formula: "C2380H3698N650O700S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02414l" + - name: "LPL" + - compartment: "l" + - formula: "C2380H3698N650O700S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02414s" + - name: "LPL" + - compartment: "s" + - formula: "C2380H3698N650O700S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02415c" + - name: "L-prolyl-tRNA(pro)" + - compartment: "c" + - formula: "C5H9NOR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02416c" + - name: "L-seryl-tRNA(ser)" + - compartment: "c" + - formula: "C3H7NO2R" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02417c" + - name: "L-sorbose" + - compartment: "c" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02418c" + - name: "LTD4" + - compartment: "c" + - formula: "C25H39N2O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02418r" + - name: "LTD4" + - compartment: "r" + - formula: "C25H39N2O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02418s" + - name: "LTD4" + - compartment: "s" + - formula: "C25H39N2O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02419c" + - name: "L-threonyl-tRNA(thr)" + - compartment: "c" + - formula: "C4H9NO2R" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02420c" + - name: "L-tryptophanyl-tRNA(trp)" + - compartment: "c" + - formula: "C11H12N2OR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02421c" + - name: "L-tyrosyl-tRNA(tyr)" + - compartment: "c" + - formula: "C9H11NO2R" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02422c" + - name: "lumisterol 3" + - compartment: "c" + - formula: "C27H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02423c" + - name: "L-valyl-tRNA(val)" + - compartment: "c" + - formula: "C5H11NOR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02424c" + - name: "L-xylonate" + - compartment: "c" + - formula: "C5H9O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02425c" + - name: "L-xylulose" + - compartment: "c" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02426c" + - name: "lysine" + - compartment: "c" + - formula: "C6H15N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02426l" + - name: "lysine" + - compartment: "l" + - formula: "C6H15N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02426m" + - name: "lysine" + - compartment: "m" + - formula: "C6H15N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02426n" + - name: "lysine" + - compartment: "n" + - formula: "C6H15N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02426p" + - name: "lysine" + - compartment: "p" + - formula: "C6H15N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02426s" + - name: "lysine" + - compartment: "s" + - formula: "C6H15N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02427c" + - name: "lysosomal-enzyme-D-mannose" + - compartment: "c" + - formula: "C6H11O6R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02428c" + - name: "lysosomal-enzyme-N-acetyl-D-glucosaminyl-phospho-D-mannose" + - compartment: "c" + - formula: "C14H25NO14PR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02429c" + - name: "lysyl-proline" + - compartment: "c" + - formula: "C11H22N3O3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02430r" + - name: "m2emgacpail heparan sulfate" + - compartment: "r" + - formula: "C53H94N2O36P2R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02431r" + - name: "m2gacpail heparan sulfate" + - compartment: "r" + - formula: "C45H78NO28PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02432r" + - name: "m3emgacpail heparan sulfate" + - compartment: "r" + - formula: "C59H104N2O41P2R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02433r" + - name: "m3gacpail heparan sulfate" + - compartment: "r" + - formula: "C51H88NO33PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02434r" + - name: "m3gacpail_prot heparan sulfate" + - compartment: "r" + - formula: "C51H88NO33PR2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02434c" + - name: "m3gacpail_prot heparan sulfate" + - compartment: "c" + - formula: "C51H88NO33PR2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02434s" + - name: "m3gacpail_prot heparan sulfate" + - compartment: "s" + - formula: "C51H88NO33PR2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02435c" + - name: "m7G(5')pppAm" + - compartment: "c" + - formula: "C32H44N10O29P5R2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02436c" + - name: "m7G(5')pppm6Am (mRNA containing an N6,2'-O-dimethyladenosine cap)" + - compartment: "c" + - formula: "C33H46N10O29P5R2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02437c" + - name: "m7G(5')pppRm-RNA (mRNA containing a 2'-O-methylpurine cap)" + - compartment: "c" + - formula: "C27H39N5O29P5R3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02438c" + - name: "m7G(5')pppR-RNA" + - compartment: "c" + - formula: "C26H37N5O29P5R3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02439c" + - name: "malate" + - compartment: "c" + - formula: "C4H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02439m" + - name: "malate" + - compartment: "m" + - formula: "C4H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02440c" + - name: "malonate" + - compartment: "c" + - formula: "C3H2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02440m" + - name: "malonate" + - compartment: "m" + - formula: "C3H2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02440s" + - name: "malonate" + - compartment: "s" + - formula: "C3H2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02441c" + - name: "malonic-dialdehyde" + - compartment: "c" + - formula: "C3H3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02442c" + - name: "malonyl-[ACP]" + - compartment: "c" + - formula: "C14H22N2O10PRS" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02443c" + - name: "malonyl-carnitin" + - compartment: "c" + - formula: "C10H16NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02443m" + - name: "malonyl-carnitin" + - compartment: "m" + - formula: "C10H16NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02443p" + - name: "malonyl-carnitin" + - compartment: "p" + - formula: "C10H16NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02443r" + - name: "malonyl-carnitin" + - compartment: "r" + - formula: "C10H16NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02444c" + - name: "malonyl-CoA" + - compartment: "c" + - formula: "C24H33N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02444m" + - name: "malonyl-CoA" + - compartment: "m" + - formula: "C24H33N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02444p" + - name: "malonyl-CoA" + - compartment: "p" + - formula: "C24H33N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02444r" + - name: "malonyl-CoA" + - compartment: "r" + - formula: "C24H33N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02445c" + - name: "maltodecaose" + - compartment: "c" + - formula: "C60H102O51" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02445s" + - name: "maltodecaose" + - compartment: "s" + - formula: "C60H102O51" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02446c" + - name: "maltoheptaose" + - compartment: "c" + - formula: "C42H72O36" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02446s" + - name: "maltoheptaose" + - compartment: "s" + - formula: "C42H72O36" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02447c" + - name: "maltohexaose" + - compartment: "c" + - formula: "C36H62O31" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02447s" + - name: "maltohexaose" + - compartment: "s" + - formula: "C36H62O31" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02448c" + - name: "maltononaose" + - compartment: "c" + - formula: "C54H92O46" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02448s" + - name: "maltononaose" + - compartment: "s" + - formula: "C54H92O46" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02449c" + - name: "maltopentaose" + - compartment: "c" + - formula: "C30H52O26" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02449s" + - name: "maltopentaose" + - compartment: "s" + - formula: "C30H52O26" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02450c" + - name: "maltose" + - compartment: "c" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02450l" + - name: "maltose" + - compartment: "l" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02450s" + - name: "maltose" + - compartment: "s" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02451c" + - name: "maltotetraose" + - compartment: "c" + - formula: "C24H42O21" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02451s" + - name: "maltotetraose" + - compartment: "s" + - formula: "C24H42O21" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02452c" + - name: "maltotriose" + - compartment: "c" + - formula: "C18H32O16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02452l" + - name: "maltotriose" + - compartment: "l" + - formula: "C18H32O16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02452s" + - name: "maltotriose" + - compartment: "s" + - formula: "C18H32O16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02453c" + - name: "mannose" + - compartment: "c" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02453g" + - name: "mannose" + - compartment: "g" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02453l" + - name: "mannose" + - compartment: "l" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02453r" + - name: "mannose" + - compartment: "r" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02453s" + - name: "mannose" + - compartment: "s" + - formula: "C6H12O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02454c" + - name: "mannose-1-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02455c" + - name: "mannose-6-phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02456c" + - name: "margaric acid" + - compartment: "c" + - formula: "C17H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02456l" + - name: "margaric acid" + - compartment: "l" + - formula: "C17H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02456r" + - name: "margaric acid" + - compartment: "r" + - formula: "C17H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02456s" + - name: "margaric acid" + - compartment: "s" + - formula: "C17H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02457c" + - name: "mead acid" + - compartment: "c" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02457l" + - name: "mead acid" + - compartment: "l" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02457r" + - name: "mead acid" + - compartment: "r" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02457s" + - name: "mead acid" + - compartment: "s" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02458c" + - name: "eumelanin" + - compartment: "c" + - formula: "C17H9N2O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02458s" + - name: "eumelanin" + - compartment: "s" + - formula: "C17H9N2O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02459c" + - name: "melatonin radical" + - compartment: "c" + - formula: "C13H17N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02460c" + - name: "melatonin" + - compartment: "c" + - formula: "C13H16N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02461r" + - name: "mem2emgacpail heparan sulfate" + - compartment: "r" + - formula: "C61H110N3O44P3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02462r" + - name: "mem2emgacpail_prot heparan sulfate" + - compartment: "r" + - formula: "C61H110N3O44P3R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02462c" + - name: "mem2emgacpail_prot heparan sulfate" + - compartment: "c" + - formula: "C61H110N3O44P3R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02462s" + - name: "mem2emgacpail_prot heparan sulfate" + - compartment: "s" + - formula: "C61H110N3O44P3R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02463r" + - name: "memgacpail heparan sulfate" + - compartment: "r" + - formula: "C47H84N2O31P2R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02464c" + - name: "mercaptopyruvate" + - compartment: "c" + - formula: "C3H3O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02464m" + - name: "mercaptopyruvate" + - compartment: "m" + - formula: "C3H3O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02465m" + - name: "mesaconate" + - compartment: "m" + - formula: "C5H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02466m" + - name: "mesaconyl-CoA" + - compartment: "m" + - formula: "C26H35N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02467c" + - name: "metformin" + - compartment: "c" + - formula: "C4H11N5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02467s" + - name: "metformin" + - compartment: "s" + - formula: "C4H11N5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02468m" + - name: "methacrylyl-CoA" + - compartment: "m" + - formula: "C25H36N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02469c" + - name: "methaneselenol" + - compartment: "c" + - formula: "CH4Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02470c" + - name: "methanol" + - compartment: "c" + - formula: "CH4O1" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02470l" + - name: "methanol" + - compartment: "l" + - formula: "CH4O1" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02470r" + - name: "methanol" + - compartment: "r" + - formula: "CH4O1" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02470s" + - name: "methanol" + - compartment: "s" + - formula: "CH4O1" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02471c" + - name: "methionine" + - compartment: "c" + - formula: "C5H11NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02471l" + - name: "methionine" + - compartment: "l" + - formula: "C5H11NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02471m" + - name: "methionine" + - compartment: "m" + - formula: "C5H11NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02471s" + - name: "methionine" + - compartment: "s" + - formula: "C5H11NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02472c" + - name: "methionyl-peptide" + - compartment: "c" + - formula: "C11H17N4O5SR3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02473c" + - name: "methylamine" + - compartment: "c" + - formula: "C1H6N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02475c" + - name: "methylglyoxal" + - compartment: "c" + - formula: "C3H4O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02475s" + - name: "methylglyoxal" + - compartment: "s" + - formula: "C3H4O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02476c" + - name: "methylimidazole-acetaldehyde" + - compartment: "c" + - formula: "C6H8N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02477c" + - name: "methylimidazoleacetic acid" + - compartment: "c" + - formula: "C6H7N2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02477s" + - name: "methylimidazoleacetic acid" + - compartment: "s" + - formula: "C6H7N2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02478c" + - name: "methyl-indole-3-acetate" + - compartment: "c" + - formula: "C11H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02479c" + - name: "methylmalonate" + - compartment: "c" + - formula: "C4H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02479m" + - name: "methylmalonate" + - compartment: "m" + - formula: "C4H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02480m" + - name: "methylmalonyl-CoA" + - compartment: "m" + - formula: "C25H35N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02481c" + - name: "methylthioribose-1p" + - compartment: "c" + - formula: "C6H11O7PS" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02482c" + - name: "Mg2+" + - compartment: "c" + - formula: "Mg" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02482s" + - name: "Mg2+" + - compartment: "s" + - formula: "Mg" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02483r" + - name: "mgacpail heparan sulfate" + - compartment: "r" + - formula: "C39H68NO23PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02484m" + - name: "mitoACP" + - compartment: "m" + - formula: "C11H21N2O7PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02485c" + - name: "mitoApo-[ACP]" + - compartment: "c" + - formula: "HOR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02485m" + - name: "mitoApo-[ACP]" + - compartment: "m" + - formula: "HOR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02486m" + - name: "mitooxidized thioredoxin" + - compartment: "m" + - formula: "C819H1320N226O239S7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02487c" + - name: "mitothioredoxin" + - compartment: "c" + - formula: "C819H1322N226O239S7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02487m" + - name: "mitothioredoxin" + - compartment: "m" + - formula: "C819H1322N226O239S7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02488c" + - name: "molybdopterin" + - compartment: "c" + - formula: "C10H12N5O6PS2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02489c" + - name: "monodehydroascorbate" + - compartment: "c" + - formula: "C6H6O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02492c" + - name: "myo-inositol-hexakisphosphate" + - compartment: "c" + - formula: "C6H6O24P6" + - charge: -12 + - inchis: "" + - !!omap + - id: "m02492n" + - name: "myo-inositol-hexakisphosphate" + - compartment: "n" + - formula: "C6H6O24P6" + - charge: -12 + - inchis: "" + - !!omap + - id: "m02493c" + - name: "myo-inositol-polyphosphate" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02494c" + - name: "myristic acid" + - compartment: "c" + - formula: "C14H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02494l" + - name: "myristic acid" + - compartment: "l" + - formula: "C14H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02494r" + - name: "myristic acid" + - compartment: "r" + - formula: "C14H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02494s" + - name: "myristic acid" + - compartment: "s" + - formula: "C14H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02495c" + - name: "myristoyl-CoA" + - compartment: "c" + - formula: "C35H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02495m" + - name: "myristoyl-CoA" + - compartment: "m" + - formula: "C35H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02495p" + - name: "myristoyl-CoA" + - compartment: "p" + - formula: "C35H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02495r" + - name: "myristoyl-CoA" + - compartment: "r" + - formula: "C35H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02496c" + - name: "N(omega)-(ADP-D-ribosyl)-L-arginine" + - compartment: "c" + - formula: "C21H34N9O15P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02497c" + - name: "N-(omega)-hydroxyarginine" + - compartment: "c" + - formula: "C6H15N4O3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02498c" + - name: "N,N-chitobiosyldiphosphodolichol" + - compartment: "c" + - formula: "C116H190N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02499c" + - name: "N,N-dimethyldopaminequinone" + - compartment: "c" + - formula: "C10H14NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02500c" + - name: "N,N-dimethylindoliumolate" + - compartment: "c" + - formula: "C10H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02501c" + - name: "N1,N12-diacetylspermine" + - compartment: "c" + - formula: "C14H32N4O2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02501p" + - name: "N1,N12-diacetylspermine" + - compartment: "p" + - formula: "C14H32N4O2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02502c" + - name: "N1,N8-diacetylspermidine" + - compartment: "c" + - formula: "C11H24N3O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02503c" + - name: "N1-acetylspermidine" + - compartment: "c" + - formula: "C9H23N3O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02503p" + - name: "N1-acetylspermidine" + - compartment: "p" + - formula: "C9H23N3O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02504c" + - name: "N1-acetylspermine" + - compartment: "c" + - formula: "C12H31N4O" + - charge: 3 + - inchis: "" + - !!omap + - id: "m02504p" + - name: "N1-acetylspermine" + - compartment: "p" + - formula: "C12H31N4O" + - charge: 3 + - inchis: "" + - !!omap + - id: "m02505c" + - name: "N1-methyl-2-pyridone-5-carboxamide" + - compartment: "c" + - formula: "C7H8N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02506c" + - name: "N1-methyl-4-pyridone-5-carboxamide" + - compartment: "c" + - formula: "C7H8N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02507g" + - name: "n2m2masn" + - compartment: "g" + - formula: "C50H83N4O35X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02508l" + - name: "n2m2mn" + - compartment: "l" + - formula: "C42H71N3O31" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02509l" + - name: "n2m2nm" + - compartment: "l" + - formula: "C58H97N5O41" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02510g" + - name: "n2m2nmasn" + - compartment: "g" + - formula: "C58H96N5O40X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02510l" + - name: "n2m2nmasn" + - compartment: "l" + - formula: "C58H96N5O40X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02510s" + - name: "n2m2nmasn" + - compartment: "s" + - formula: "C58H96N5O40X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02511l" + - name: "n2m2nmn" + - compartment: "l" + - formula: "C50H84N4O36" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02512g" + - name: "n3m2masn" + - compartment: "g" + - formula: "C58H96N5O40X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02513c" + - name: "N4-(acetyl-beta-D-glucosaminyl)asparagine" + - compartment: "c" + - formula: "C12H21N3O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02514c" + - name: "N4-acetylaminobutanal" + - compartment: "c" + - formula: "C6H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02515g" + - name: "n4m2masn" + - compartment: "g" + - formula: "C66H109N6O45X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02516c" + - name: "n5m2masn" + - compartment: "c" + - formula: "C74H122N7O50X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02516g" + - name: "n5m2masn" + - compartment: "g" + - formula: "C74H122N7O50X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02516s" + - name: "n5m2masn" + - compartment: "s" + - formula: "C74H122N7O50X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02517c" + - name: "N6,N6,N6-trimethyl-L-lysine" + - compartment: "c" + - formula: "C9H20N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02517r" + - name: "N6,N6,N6-trimethyl-L-lysine" + - compartment: "r" + - formula: "C9H20N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02518c" + - name: "N8-acetylspermidine" + - compartment: "c" + - formula: "C9H23N3O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02519c" + - name: "Na+" + - compartment: "c" + - formula: "Na" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02519g" + - name: "Na+" + - compartment: "g" + - formula: "Na" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02519p" + - name: "Na+" + - compartment: "p" + - formula: "Na" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02519r" + - name: "Na+" + - compartment: "r" + - formula: "Na" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02519s" + - name: "Na+" + - compartment: "s" + - formula: "Na" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02520c" + - name: "N-acetyl-5-methoxykynuramine" + - compartment: "c" + - formula: "C12H16N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02521c" + - name: "N-acetyl-beta-D-glucosaminylamine" + - compartment: "c" + - formula: "C8H16N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02522c" + - name: "N-acetyl-D-glucosaminyldiphosphodolichol" + - compartment: "c" + - formula: "C108H177NO12P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02523c" + - name: "N-acetyl-D-glucosaminylphosphatidylinositol" + - compartment: "c" + - formula: "C19H29NO18PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02523r" + - name: "N-acetyl-D-glucosaminylphosphatidylinositol" + - compartment: "r" + - formula: "C19H29NO18PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02524r" + - name: "N-acetyl-D-mannosamine" + - compartment: "r" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02524s" + - name: "N-acetyl-D-mannosamine" + - compartment: "s" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02525c" + - name: "N-acetylgalactosamine" + - compartment: "c" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02525g" + - name: "N-acetylgalactosamine" + - compartment: "g" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02525l" + - name: "N-acetylgalactosamine" + - compartment: "l" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02526c" + - name: "N-acetylgalactosamine-1-phosphate" + - compartment: "c" + - formula: "C8H14NO9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02527c" + - name: "N-acetylglucosamine" + - compartment: "c" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02527l" + - name: "N-acetylglucosamine" + - compartment: "l" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02527r" + - name: "N-acetylglucosamine" + - compartment: "r" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02527s" + - name: "N-acetylglucosamine" + - compartment: "s" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02528c" + - name: "N-acetylglucosamine-1-phosphate" + - compartment: "c" + - formula: "C8H14NO9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02529c" + - name: "N-acetylglucosamine-6-phosphate" + - compartment: "c" + - formula: "C8H14NO9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02530c" + - name: "N-acetyl-L-alanine" + - compartment: "c" + - formula: "C5H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02531c" + - name: "N-acetyl-L-asparagine" + - compartment: "c" + - formula: "C6H9N2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02532c" + - name: "N-acetyl-L-aspartate" + - compartment: "c" + - formula: "C6H7NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02532m" + - name: "N-acetyl-L-aspartate" + - compartment: "m" + - formula: "C6H7NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02534m" + - name: "N-acetyl-L-cysteine" + - compartment: "m" + - formula: "C5H8NO3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02535m" + - name: "N-acetyl-L-glutamate 5-semialdehyde" + - compartment: "m" + - formula: "C7H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02536m" + - name: "N-acetyl-L-glutamate" + - compartment: "m" + - formula: "C7H9NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02537m" + - name: "N-acetyl-L-glutamate-5-phosphate" + - compartment: "m" + - formula: "C7H9NO8P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02538c" + - name: "N-acetyl-LTE4" + - compartment: "c" + - formula: "C25H37NO6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02538n" + - name: "N-acetyl-LTE4" + - compartment: "n" + - formula: "C25H37NO6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02539c" + - name: "N-acetylmannosamine-6-phosphate" + - compartment: "c" + - formula: "C8H14NO9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02540c" + - name: "N-acetylmethionine" + - compartment: "c" + - formula: "C7H12NO3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02540m" + - name: "N-acetylmethionine" + - compartment: "m" + - formula: "C7H12NO3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02541c" + - name: "N-acetylmuramate" + - compartment: "c" + - formula: "C11H18NO8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02542c" + - name: "N-acetylmuramoyl-ala" + - compartment: "c" + - formula: "C14H23N2O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02543c" + - name: "N-acetylneuraminate" + - compartment: "c" + - formula: "C11H18NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02543l" + - name: "N-acetylneuraminate" + - compartment: "l" + - formula: "C11H18NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02543n" + - name: "N-acetylneuraminate" + - compartment: "n" + - formula: "C11H18NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02544c" + - name: "N-acetylneuraminate-9-phosphate" + - compartment: "c" + - formula: "C11H17NO12P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02546c" + - name: "N-acetylornithine" + - compartment: "c" + - formula: "C7H14N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02547c" + - name: "N-acetylputrescine" + - compartment: "c" + - formula: "C6H15N2O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02548c" + - name: "N-acetyl-S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-L-cysteine" + - compartment: "c" + - formula: "C11H13N3O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02550c" + - name: "N-acetyl-seryl-aspartate" + - compartment: "c" + - formula: "C9H12N2O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02551c" + - name: "N-acetyl-seryl-aspartyl-lysyl-proline" + - compartment: "c" + - formula: "C20H32N5O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02552c" + - name: "NAD+" + - compartment: "c" + - formula: "C21H26N7O14P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02552m" + - name: "NAD+" + - compartment: "m" + - formula: "C21H26N7O14P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02552n" + - name: "NAD+" + - compartment: "n" + - formula: "C21H26N7O14P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02552p" + - name: "NAD+" + - compartment: "p" + - formula: "C21H26N7O14P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02552r" + - name: "NAD+" + - compartment: "r" + - formula: "C21H26N7O14P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02552s" + - name: "NAD+" + - compartment: "s" + - formula: "C21H26N7O14P2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02553c" + - name: "NADH" + - compartment: "c" + - formula: "C21H27N7O14P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02553m" + - name: "NADH" + - compartment: "m" + - formula: "C21H27N7O14P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02553p" + - name: "NADH" + - compartment: "p" + - formula: "C21H27N7O14P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02553r" + - name: "NADH" + - compartment: "r" + - formula: "C21H27N7O14P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02553s" + - name: "NADH" + - compartment: "s" + - formula: "C21H27N7O14P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02554c" + - name: "NADP+" + - compartment: "c" + - formula: "C21H25N7O17P3" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02554l" + - name: "NADP+" + - compartment: "l" + - formula: "C21H25N7O17P3" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02554m" + - name: "NADP+" + - compartment: "m" + - formula: "C21H25N7O17P3" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02554n" + - name: "NADP+" + - compartment: "n" + - formula: "C21H25N7O17P3" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02554p" + - name: "NADP+" + - compartment: "p" + - formula: "C21H25N7O17P3" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02554r" + - name: "NADP+" + - compartment: "r" + - formula: "C21H25N7O17P3" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02554s" + - name: "NADP+" + - compartment: "s" + - formula: "C21H25N7O17P3" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02555c" + - name: "NADPH" + - compartment: "c" + - formula: "C21H26N7O17P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02555l" + - name: "NADPH" + - compartment: "l" + - formula: "C21H26N7O17P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02555m" + - name: "NADPH" + - compartment: "m" + - formula: "C21H26N7O17P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02555n" + - name: "NADPH" + - compartment: "n" + - formula: "C21H26N7O17P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02555p" + - name: "NADPH" + - compartment: "p" + - formula: "C21H26N7O17P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02555r" + - name: "NADPH" + - compartment: "r" + - formula: "C21H26N7O17P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02556c" + - name: "naphthalene" + - compartment: "c" + - formula: "C10H8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02556s" + - name: "naphthalene" + - compartment: "s" + - formula: "C10H8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02557c" + - name: "naphthalene-1,2-diol" + - compartment: "c" + - formula: "C10H8O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02558m" + - name: "N-arachidonoylglycine" + - compartment: "m" + - formula: "C22H34NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02559c" + - name: "N-carbamoyl-L-aspartate" + - compartment: "c" + - formula: "C5H6N2O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02560s" + - name: "NEFA blood pool in" + - compartment: "s" + - formula: "CHO2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02561s" + - name: "NEFA blood pool out" + - compartment: "s" + - formula: "CHO2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02562c" + - name: "neocasomorphin (1-5)" + - compartment: "c" + - formula: "C29H40N5O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02563c" + - name: "neocasomorphin" + - compartment: "c" + - formula: "C35H51N6O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02564c" + - name: "nervonic acid" + - compartment: "c" + - formula: "C24H45O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02564l" + - name: "nervonic acid" + - compartment: "l" + - formula: "C24H45O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02564r" + - name: "nervonic acid" + - compartment: "r" + - formula: "C24H45O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02564s" + - name: "nervonic acid" + - compartment: "s" + - formula: "C24H45O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02565c" + - name: "neungc" + - compartment: "c" + - formula: "C11H18NO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02569c" + - name: "neuromedin N(1-4)" + - compartment: "c" + - formula: "C26H40N4O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02570c" + - name: "neuromedin N" + - compartment: "c" + - formula: "C32H51N5O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02574c" + - name: "N-formimino-L-glutamate" + - compartment: "c" + - formula: "C6H8N2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02575c" + - name: "N-formyl-GAR" + - compartment: "c" + - formula: "C8H13N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02576c" + - name: "N-formylmethionyl-tRNA" + - compartment: "c" + - formula: "C6H11NO2SR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02577c" + - name: "NG,NG-dimethyl-L-arginine" + - compartment: "c" + - formula: "C8H19N4O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02578c" + - name: "NH3" + - compartment: "c" + - formula: "H3N" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02578m" + - name: "NH3" + - compartment: "m" + - formula: "H3N" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02578n" + - name: "NH3" + - compartment: "n" + - formula: "H3N" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02578p" + - name: "NH3" + - compartment: "p" + - formula: "H3N" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02578r" + - name: "NH3" + - compartment: "r" + - formula: "H3N" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02578s" + - name: "NH3" + - compartment: "s" + - formula: "H3N" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02579c" + - name: "NH4+" + - compartment: "c" + - formula: "H4N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02579m" + - name: "NH4+" + - compartment: "m" + - formula: "H4N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02579s" + - name: "NH4+" + - compartment: "s" + - formula: "H4N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02580c" + - name: "N-hydroxy-1-aminonaphthalene" + - compartment: "c" + - formula: "C10H9NO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02581c" + - name: "nicotinamide D-ribonucleotide" + - compartment: "c" + - formula: "C11H14N2O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02581m" + - name: "nicotinamide D-ribonucleotide" + - compartment: "m" + - formula: "C11H14N2O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02581n" + - name: "nicotinamide D-ribonucleotide" + - compartment: "n" + - formula: "C11H14N2O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02582c" + - name: "nicotinamide ribonucleoside" + - compartment: "c" + - formula: "C11H15N2O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02583c" + - name: "nicotinamide" + - compartment: "c" + - formula: "C6H6N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02583s" + - name: "nicotinamide" + - compartment: "s" + - formula: "C6H6N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02584c" + - name: "nicotinate D-ribonucleoside" + - compartment: "c" + - formula: "C11H13NO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02585c" + - name: "nicotinate ribonucleotide" + - compartment: "c" + - formula: "C11H12NO9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02585n" + - name: "nicotinate ribonucleotide" + - compartment: "n" + - formula: "C11H12NO9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02586c" + - name: "nicotinate" + - compartment: "c" + - formula: "C6H4NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02586s" + - name: "nicotinate" + - compartment: "s" + - formula: "C6H4NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02587c" + - name: "nifedipine" + - compartment: "c" + - formula: "C17H18N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02587s" + - name: "nifedipine" + - compartment: "s" + - formula: "C17H18N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02588c" + - name: "nitrite" + - compartment: "c" + - formula: "NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02588s" + - name: "nitrite" + - compartment: "s" + - formula: "NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02589c" + - name: "nitrogen" + - compartment: "c" + - formula: "N2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02590c" + - name: "nitrosoperoxycarbonate" + - compartment: "c" + - formula: "CNO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02591c" + - name: "nitryl-chloride" + - compartment: "c" + - formula: "ClNO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02593c" + - name: "nLc5Cer" + - compartment: "c" + - formula: "C52H92N3O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02593g" + - name: "nLc5Cer" + - compartment: "g" + - formula: "C52H92N3O27RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02594c" + - name: "nLc6Cer" + - compartment: "c" + - formula: "C58H102N3O32RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02594g" + - name: "nLc6Cer" + - compartment: "g" + - formula: "C58H102N3O32RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02595c" + - name: "nLc7Cer" + - compartment: "c" + - formula: "C66H115N4O37RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02595g" + - name: "nLc7Cer" + - compartment: "g" + - formula: "C66H115N4O37RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02596c" + - name: "nLc8Cer" + - compartment: "c" + - formula: "C72H125N4O42RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02596g" + - name: "nLc8Cer" + - compartment: "g" + - formula: "C72H125N4O42RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02597g" + - name: "nm2masn" + - compartment: "g" + - formula: "C42H70N3O30X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02598g" + - name: "nm4masn" + - compartment: "g" + - formula: "C54H90N3O40X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02599c" + - name: "N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline" + - compartment: "c" + - formula: "C10H13NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02600c" + - name: "N-methylethanolamine-phosphate" + - compartment: "c" + - formula: "C3H9NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02601c" + - name: "N-methylhistamine" + - compartment: "c" + - formula: "C6H12N3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02603c" + - name: "N-methylsalsolinol" + - compartment: "c" + - formula: "C11H16NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02606c" + - name: "N-methyltyramine" + - compartment: "c" + - formula: "C9H14NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02607c" + - name: "NNAL-N-glucuronide" + - compartment: "c" + - formula: "C16H23N3O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02608c" + - name: "N-nitrosomethanamine" + - compartment: "c" + - formula: "CH4N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02609c" + - name: "NO" + - compartment: "c" + - formula: "NO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02609s" + - name: "NO" + - compartment: "s" + - formula: "NO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02610c" + - name: "noladin-ether" + - compartment: "c" + - formula: "C23H40O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02611c" + - name: "nonadecanoylcarnitine" + - compartment: "c" + - formula: "C26H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02611m" + - name: "nonadecanoylcarnitine" + - compartment: "m" + - formula: "C26H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02611r" + - name: "nonadecanoylcarnitine" + - compartment: "r" + - formula: "C26H51NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02612c" + - name: "nonadecanoyl-CoA" + - compartment: "c" + - formula: "C40H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02612m" + - name: "nonadecanoyl-CoA" + - compartment: "m" + - formula: "C40H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02612r" + - name: "nonadecanoyl-CoA" + - compartment: "r" + - formula: "C40H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02613c" + - name: "nonadecylic acid" + - compartment: "c" + - formula: "C19H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02613l" + - name: "nonadecylic acid" + - compartment: "l" + - formula: "C19H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02613r" + - name: "nonadecylic acid" + - compartment: "r" + - formula: "C19H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02613s" + - name: "nonadecylic acid" + - compartment: "s" + - formula: "C19H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02614c" + - name: "nonanoic acid" + - compartment: "c" + - formula: "C9H17O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02614s" + - name: "nonanoic acid" + - compartment: "s" + - formula: "C9H17O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02615c" + - name: "nonanoyl-[ACP]" + - compartment: "c" + - formula: "C20H37N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02616c" + - name: "nonanoyl-CoA" + - compartment: "c" + - formula: "C30H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02616m" + - name: "nonanoyl-CoA" + - compartment: "m" + - formula: "C30H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02617c" + - name: "noradrenaline" + - compartment: "c" + - formula: "C8H12NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02617s" + - name: "noradrenaline" + - compartment: "s" + - formula: "C8H12NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02618c" + - name: "noradrenochrome" + - compartment: "c" + - formula: "C8H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02620c" + - name: "norepinephrine sulfate" + - compartment: "c" + - formula: "C8H11NO6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02620s" + - name: "norepinephrine sulfate" + - compartment: "s" + - formula: "C8H11NO6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02621c" + - name: "norlaudanosoline" + - compartment: "c" + - formula: "C16H18NO4" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02622c" + - name: "normetanephrine" + - compartment: "c" + - formula: "C9H14NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02623c" + - name: "N-pantothenoylcysteine" + - compartment: "c" + - formula: "C12H21N2O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02623m" + - name: "N-pantothenoylcysteine" + - compartment: "m" + - formula: "C12H21N2O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02624c" + - name: "N-retinylidene-N-retinylethanolamine" + - compartment: "c" + - formula: "C42H58NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02625c" + - name: "N-substituted amino acid" + - compartment: "c" + - formula: "C3H3NO3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02626c" + - name: "N-substituted aminoacyl tRNA" + - compartment: "c" + - formula: "C3H2NO2R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02627c" + - name: "N-tetradecanoylglycylpeptide" + - compartment: "c" + - formula: "C18H33N2O4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02628c" + - name: "N-trimethyl-2-aminoethylphosphonate" + - compartment: "c" + - formula: "C5H13NO3P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02629c" + - name: "O-1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine" + - compartment: "c" + - formula: "C8H14NO7PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02630c" + - name: "O2" + - compartment: "c" + - formula: "O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02631c" + - name: "O2-" + - compartment: "c" + - formula: "O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02630g" + - name: "O2" + - compartment: "g" + - formula: "O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02630l" + - name: "O2" + - compartment: "l" + - formula: "O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02630m" + - name: "O2" + - compartment: "m" + - formula: "O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02631m" + - name: "O2-" + - compartment: "m" + - formula: "O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02630n" + - name: "O2" + - compartment: "n" + - formula: "O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02631n" + - name: "O2-" + - compartment: "n" + - formula: "O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02630p" + - name: "O2" + - compartment: "p" + - formula: "O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02631p" + - name: "O2-" + - compartment: "p" + - formula: "O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02630r" + - name: "O2" + - compartment: "r" + - formula: "O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02630s" + - name: "O2" + - compartment: "s" + - formula: "O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02631s" + - name: "O2-" + - compartment: "s" + - formula: "O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02632c" + - name: "O2-4a-cyclic-tetrahydrobiopterin" + - compartment: "c" + - formula: "C9H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02632n" + - name: "O2-4a-cyclic-tetrahydrobiopterin" + - compartment: "n" + - formula: "C9H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02633c" + - name: "OAA" + - compartment: "c" + - formula: "C4H2O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02633m" + - name: "OAA" + - compartment: "m" + - formula: "C4H2O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02633p" + - name: "OAA" + - compartment: "p" + - formula: "C4H2O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02634c" + - name: "O-acetylcarnitine" + - compartment: "c" + - formula: "C9H17NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02634m" + - name: "O-acetylcarnitine" + - compartment: "m" + - formula: "C9H17NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02634p" + - name: "O-acetylcarnitine" + - compartment: "p" + - formula: "C9H17NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02634r" + - name: "O-acetylcarnitine" + - compartment: "r" + - formula: "C9H17NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02635c" + - name: "O-butanoylcarnitine" + - compartment: "c" + - formula: "C11H21NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02635m" + - name: "O-butanoylcarnitine" + - compartment: "m" + - formula: "C11H21NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02636c" + - name: "ocosatetraenoylcarnitine" + - compartment: "c" + - formula: "C29H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02636m" + - name: "ocosatetraenoylcarnitine" + - compartment: "m" + - formula: "C29H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02636r" + - name: "ocosatetraenoylcarnitine" + - compartment: "r" + - formula: "C29H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02637c" + - name: "octadecatrienoylcarnitine" + - compartment: "c" + - formula: "C25H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02637m" + - name: "octadecatrienoylcarnitine" + - compartment: "m" + - formula: "C25H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02637r" + - name: "octadecatrienoylcarnitine" + - compartment: "r" + - formula: "C25H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02638c" + - name: "octadecenoylcarnitine(11)" + - compartment: "c" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02638m" + - name: "octadecenoylcarnitine(11)" + - compartment: "m" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02638r" + - name: "octadecenoylcarnitine(11)" + - compartment: "r" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02639c" + - name: "octadecenoylcarnitine(5)" + - compartment: "c" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02639m" + - name: "octadecenoylcarnitine(5)" + - compartment: "m" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02639r" + - name: "octadecenoylcarnitine(5)" + - compartment: "r" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02640c" + - name: "octadecenoylcarnitine(7)" + - compartment: "c" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02640m" + - name: "octadecenoylcarnitine(7)" + - compartment: "m" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02640r" + - name: "octadecenoylcarnitine(7)" + - compartment: "r" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02641c" + - name: "octanoate radical" + - compartment: "c" + - formula: "C8H15O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02642c" + - name: "octanoic acid" + - compartment: "c" + - formula: "C8H15O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02642s" + - name: "octanoic acid" + - compartment: "s" + - formula: "C8H15O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02643c" + - name: "octanoyl-[ACP]" + - compartment: "c" + - formula: "C19H35N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02644c" + - name: "octanoyl-CoA" + - compartment: "c" + - formula: "C29H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02644m" + - name: "octanoyl-CoA" + - compartment: "m" + - formula: "C29H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02644p" + - name: "octanoyl-CoA" + - compartment: "p" + - formula: "C29H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02645c" + - name: "O-D-mannosylprotein" + - compartment: "c" + - formula: "C6H11O5X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02646c" + - name: "oleate" + - compartment: "c" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02646l" + - name: "oleate" + - compartment: "l" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02646r" + - name: "oleate" + - compartment: "r" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02646s" + - name: "oleate" + - compartment: "s" + - formula: "C18H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02647c" + - name: "oleoyl-CoA" + - compartment: "c" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02647m" + - name: "oleoyl-CoA" + - compartment: "m" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02647p" + - name: "oleoyl-CoA" + - compartment: "p" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02647r" + - name: "oleoyl-CoA" + - compartment: "r" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02648c" + - name: "omega-3-arachidonic acid" + - compartment: "c" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02648l" + - name: "omega-3-arachidonic acid" + - compartment: "l" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02648r" + - name: "omega-3-arachidonic acid" + - compartment: "r" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02648s" + - name: "omega-3-arachidonic acid" + - compartment: "s" + - formula: "C20H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02649m" + - name: "omega-carboxy-trinor-LTB4" + - compartment: "m" + - formula: "C18H24O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02649p" + - name: "omega-carboxy-trinor-LTB4" + - compartment: "p" + - formula: "C18H24O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02650p" + - name: "omega-COOH-dinor-LTE4-CoA" + - compartment: "p" + - formula: "C42H60N8O22P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02652p" + - name: "omega-COOH-tetranor-LTE3-CoA" + - compartment: "p" + - formula: "C40H55N8O22P3S2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02653c" + - name: "omeprazole" + - compartment: "c" + - formula: "C17H19N3O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02653s" + - name: "omeprazole" + - compartment: "s" + - formula: "C17H19N3O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02654c" + - name: "O-methylhippurate" + - compartment: "c" + - formula: "C10H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02655c" + - name: "O-phospho-L-homoserine" + - compartment: "c" + - formula: "C4H8NO6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02656c" + - name: "O-phosphoprotamine" + - compartment: "c" + - formula: "XO3P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02657c" + - name: "O-propanoylcarnitine" + - compartment: "c" + - formula: "C10H19NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02657m" + - name: "O-propanoylcarnitine" + - compartment: "m" + - formula: "C10H19NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02657p" + - name: "O-propanoylcarnitine" + - compartment: "p" + - formula: "C10H19NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02658c" + - name: "ornithine" + - compartment: "c" + - formula: "C5H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02658m" + - name: "ornithine" + - compartment: "m" + - formula: "C5H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02658s" + - name: "ornithine" + - compartment: "s" + - formula: "C5H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02659c" + - name: "orotate" + - compartment: "c" + - formula: "C5H3N2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02659s" + - name: "orotate" + - compartment: "s" + - formula: "C5H3N2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02660c" + - name: "orotidine-5-phosphate" + - compartment: "c" + - formula: "C10H10N2O11P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02661c" + - name: "oxalate" + - compartment: "c" + - formula: "C2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02661m" + - name: "oxalate" + - compartment: "m" + - formula: "C2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02661p" + - name: "oxalate" + - compartment: "p" + - formula: "C2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02661s" + - name: "oxalate" + - compartment: "s" + - formula: "C2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02662c" + - name: "oxalosuccinate" + - compartment: "c" + - formula: "C6H3O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02662m" + - name: "oxalosuccinate" + - compartment: "m" + - formula: "C6H3O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02662p" + - name: "oxalosuccinate" + - compartment: "p" + - formula: "C6H3O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02664c" + - name: "oxidized dithiothreitol" + - compartment: "c" + - formula: "C4H8O2S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02665m" + - name: "oxidized ferredoxin" + - compartment: "m" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02666c" + - name: "oxidized thioredoxin" + - compartment: "c" + - formula: "C525H814N128O160S8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02666m" + - name: "oxidized thioredoxin" + - compartment: "m" + - formula: "C525H814N128O160S8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02666n" + - name: "oxidized thioredoxin" + - compartment: "n" + - formula: "C525H814N128O160S8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02667c" + - name: "oxo-xanthurenate" + - compartment: "c" + - formula: "C10H5NO4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02668c" + - name: "oxytocin 1-8" + - compartment: "c" + - formula: "C41H61N10O12S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02669c" + - name: "oxytocin" + - compartment: "c" + - formula: "C43H67N12O12S2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02670c" + - name: "P1,P4-bis(5-adenosyl)-tetraphosphate" + - compartment: "c" + - formula: "C20H24N10O19P4" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02671c" + - name: "P1,P4-bis(5-guanosyl)-tetraphosphate" + - compartment: "c" + - formula: "C20H24N10O21P4" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02672g" + - name: "PA6" + - compartment: "g" + - formula: "C90H145N6O65X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02672l" + - name: "PA6" + - compartment: "l" + - formula: "C90H145N6O65X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02672s" + - name: "PA6" + - compartment: "s" + - formula: "C90H145N6O65X" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02673c" + - name: "paclitaxel" + - compartment: "c" + - formula: "C47H31NO14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02673s" + - name: "paclitaxel" + - compartment: "s" + - formula: "C47H31NO14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02674c" + - name: "palmitate" + - compartment: "c" + - formula: "C16H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02674l" + - name: "palmitate" + - compartment: "l" + - formula: "C16H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02674p" + - name: "palmitate" + - compartment: "p" + - formula: "C16H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02674r" + - name: "palmitate" + - compartment: "r" + - formula: "C16H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02674s" + - name: "palmitate" + - compartment: "s" + - formula: "C16H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02675c" + - name: "palmitolate" + - compartment: "c" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02675l" + - name: "palmitolate" + - compartment: "l" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02675r" + - name: "palmitolate" + - compartment: "r" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02675s" + - name: "palmitolate" + - compartment: "s" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02676c" + - name: "palmitoleoyl-carnitine" + - compartment: "c" + - formula: "C23H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02676m" + - name: "palmitoleoyl-carnitine" + - compartment: "m" + - formula: "C23H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02676r" + - name: "palmitoleoyl-carnitine" + - compartment: "r" + - formula: "C23H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02677c" + - name: "palmitoleoyl-CoA" + - compartment: "c" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02677m" + - name: "palmitoleoyl-CoA" + - compartment: "m" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02677p" + - name: "palmitoleoyl-CoA" + - compartment: "p" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02677r" + - name: "palmitoleoyl-CoA" + - compartment: "r" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02678c" + - name: "palmitoyl-CoA" + - compartment: "c" + - formula: "C37H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02678m" + - name: "palmitoyl-CoA" + - compartment: "m" + - formula: "C37H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02678p" + - name: "palmitoyl-CoA" + - compartment: "p" + - formula: "C37H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02678r" + - name: "palmitoyl-CoA" + - compartment: "r" + - formula: "C37H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02679c" + - name: "pantetheine" + - compartment: "c" + - formula: "C11H22N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02679m" + - name: "pantetheine" + - compartment: "m" + - formula: "C11H22N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02680c" + - name: "pantothenate" + - compartment: "c" + - formula: "C9H16NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02680s" + - name: "pantothenate" + - compartment: "s" + - formula: "C9H16NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02681c" + - name: "PAP" + - compartment: "c" + - formula: "C10H11N5O10P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02681g" + - name: "PAP" + - compartment: "g" + - formula: "C10H11N5O10P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02681l" + - name: "PAP" + - compartment: "l" + - formula: "C10H11N5O10P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02682c" + - name: "PAPS" + - compartment: "c" + - formula: "C10H11N5O13P2S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02682g" + - name: "PAPS" + - compartment: "g" + - formula: "C10H11N5O13P2S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02682l" + - name: "PAPS" + - compartment: "l" + - formula: "C10H11N5O13P2S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02683c" + - name: "paragloboside" + - compartment: "c" + - formula: "C45H79N2O23R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02684c" + - name: "PC-LD pool" + - compartment: "c" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02684g" + - name: "PC-LD pool" + - compartment: "g" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02684l" + - name: "PC-LD pool" + - compartment: "l" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02684r" + - name: "PC-LD pool" + - compartment: "r" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02684s" + - name: "PC-LD pool" + - compartment: "s" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02685c" + - name: "PE-LD pool" + - compartment: "c" + - formula: "C7H12NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02685g" + - name: "PE-LD pool" + - compartment: "g" + - formula: "C7H12NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02685l" + - name: "PE-LD pool" + - compartment: "l" + - formula: "C7H12NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02685m" + - name: "PE-LD pool" + - compartment: "m" + - formula: "C7H12NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02685r" + - name: "PE-LD pool" + - compartment: "r" + - formula: "C7H12NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02685s" + - name: "PE-LD pool" + - compartment: "s" + - formula: "C7H12NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02687c" + - name: "pentadecanoyl-[ACP]" + - compartment: "c" + - formula: "C26H49N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02688c" + - name: "pentadecanoylcarnitine" + - compartment: "c" + - formula: "C22H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02688m" + - name: "pentadecanoylcarnitine" + - compartment: "m" + - formula: "C22H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02688r" + - name: "pentadecanoylcarnitine" + - compartment: "r" + - formula: "C22H43NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02689c" + - name: "pentadecanoyl-CoA" + - compartment: "c" + - formula: "C36H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02689m" + - name: "pentadecanoyl-CoA" + - compartment: "m" + - formula: "C36H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02689r" + - name: "pentadecanoyl-CoA" + - compartment: "r" + - formula: "C36H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02690c" + - name: "pentadecylic acid" + - compartment: "c" + - formula: "C15H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02690l" + - name: "pentadecylic acid" + - compartment: "l" + - formula: "C15H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02690r" + - name: "pentadecylic acid" + - compartment: "r" + - formula: "C15H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02690s" + - name: "pentadecylic acid" + - compartment: "s" + - formula: "C15H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02691c" + - name: "pentaglutamyl-folate(DHF)" + - compartment: "c" + - formula: "C39H43N11O18" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02691l" + - name: "pentaglutamyl-folate(DHF)" + - compartment: "l" + - formula: "C39H43N11O18" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02691m" + - name: "pentaglutamyl-folate(DHF)" + - compartment: "m" + - formula: "C39H43N11O18" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02691s" + - name: "pentaglutamyl-folate(DHF)" + - compartment: "s" + - formula: "C39H43N11O18" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02692c" + - name: "pentaglutamyl-folate(THF)" + - compartment: "c" + - formula: "C39H45N11O18" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02692l" + - name: "pentaglutamyl-folate(THF)" + - compartment: "l" + - formula: "C39H45N11O18" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02692m" + - name: "pentaglutamyl-folate(THF)" + - compartment: "m" + - formula: "C39H45N11O18" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02692s" + - name: "pentaglutamyl-folate(THF)" + - compartment: "s" + - formula: "C39H45N11O18" + - charge: -6 + - inchis: "" + - !!omap + - id: "m02693c" + - name: "pentanoyl-[ACP]" + - compartment: "c" + - formula: "C16H29N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02694c" + - name: "pentanoyl-CoA" + - compartment: "c" + - formula: "C26H40N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02694m" + - name: "pentanoyl-CoA" + - compartment: "m" + - formula: "C26H40N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02695c" + - name: "pentyl radical" + - compartment: "c" + - formula: "C5H11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02696c" + - name: "PEP" + - compartment: "c" + - formula: "C3H2O6P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02696m" + - name: "PEP" + - compartment: "m" + - formula: "C3H2O6P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02697c" + - name: "PE-PS-LD pool" + - compartment: "c" + - formula: "C7H12NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02698r" + - name: "peptide sans lysine" + - compartment: "r" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02699c" + - name: "peptide-2-(3-carboxy-3-aminopropyl)-L-histidine" + - compartment: "c" + - formula: "C11H15N5O4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02700c" + - name: "peptide-2-[3-carboxy-3-(methylammonio)propyl]-L-histidine" + - compartment: "c" + - formula: "C12H17N5O4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02701c" + - name: "peptide-3-hydroxy-L-aspartate" + - compartment: "c" + - formula: "C5H6N2O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02702c" + - name: "peptide-L-aspartate" + - compartment: "c" + - formula: "C5H6N2O4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02703c" + - name: "peptide-L-methionine-(S)-S-oxide" + - compartment: "c" + - formula: "C6H10N2O3SR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02704c" + - name: "peptide-L-methionine" + - compartment: "c" + - formula: "C6H10N2O2SR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02705c" + - name: "peptidyl-allysyl-peptide" + - compartment: "c" + - formula: "C7H10N2O3R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02706c" + - name: "peptidylamidoglycolate" + - compartment: "c" + - formula: "C6H9N3O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02707c" + - name: "peptidylglycine" + - compartment: "c" + - formula: "C6H9N3O4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02708c" + - name: "peptidyl-L-lysyl-peptide" + - compartment: "c" + - formula: "C7H14N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02709c" + - name: "peptidylproline-(omega=0)" + - compartment: "c" + - formula: "C6H8N2O2R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02710c" + - name: "peptidylproline-(omega=180)" + - compartment: "c" + - formula: "C6H8N2O2R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02711c" + - name: "perillic acid" + - compartment: "c" + - formula: "C10H13O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02711m" + - name: "perillic acid" + - compartment: "m" + - formula: "C10H13O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02712c" + - name: "perillyl alcohol" + - compartment: "c" + - formula: "C10H16O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02712s" + - name: "perillyl alcohol" + - compartment: "s" + - formula: "C10H16O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02713c" + - name: "perillyl aldehyde" + - compartment: "c" + - formula: "C10H14O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02713m" + - name: "perillyl aldehyde" + - compartment: "m" + - formula: "C10H14O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02714c" + - name: "peroxynitrite" + - compartment: "c" + - formula: "NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02715m" + - name: "PG-CL pool" + - compartment: "m" + - formula: "C8H12O10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02716c" + - name: "PGH3" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02716n" + - name: "PGH3" + - compartment: "n" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02717m" + - name: "PGP-CL pool" + - compartment: "m" + - formula: "C8H11O13P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02718c" + - name: "phenethylamine" + - compartment: "c" + - formula: "C8H12N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02719c" + - name: "phenylacetaldehyde" + - compartment: "c" + - formula: "C8H8O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02719m" + - name: "phenylacetaldehyde" + - compartment: "m" + - formula: "C8H8O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02720c" + - name: "phenylacetate" + - compartment: "c" + - formula: "C8H7O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02720m" + - name: "phenylacetate" + - compartment: "m" + - formula: "C8H7O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02721c" + - name: "phenylacetyl-CoA" + - compartment: "c" + - formula: "C29H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02722c" + - name: "phenylacetylglutamine" + - compartment: "c" + - formula: "C13H16N2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02722s" + - name: "phenylacetylglutamine" + - compartment: "s" + - formula: "C13H16N2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02723c" + - name: "phenylacetylglycine" + - compartment: "c" + - formula: "C10H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02723s" + - name: "phenylacetylglycine" + - compartment: "s" + - formula: "C10H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02724c" + - name: "phenylalanine" + - compartment: "c" + - formula: "C9H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02724l" + - name: "phenylalanine" + - compartment: "l" + - formula: "C9H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02724m" + - name: "phenylalanine" + - compartment: "m" + - formula: "C9H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02724s" + - name: "phenylalanine" + - compartment: "s" + - formula: "C9H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02725c" + - name: "phenylpyruvate" + - compartment: "c" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02726c" + - name: "phosphatidate-bile-PC pool" + - compartment: "c" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02727m" + - name: "phosphatidate-CL pool" + - compartment: "m" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02728c" + - name: "phosphatidate-LD-PC pool" + - compartment: "c" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02728g" + - name: "phosphatidate-LD-PC pool" + - compartment: "g" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02728r" + - name: "phosphatidate-LD-PC pool" + - compartment: "r" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02729c" + - name: "phosphatidate-LD-PE pool" + - compartment: "c" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02730c" + - name: "phosphatidate-LD-PI pool" + - compartment: "c" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02731c" + - name: "phosphatidate-LD-PS pool" + - compartment: "c" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02732c" + - name: "phosphatidate-LD-SM pool" + - compartment: "c" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02733c" + - name: "phosphatidate-LD-TAG pool" + - compartment: "c" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02733r" + - name: "phosphatidate-LD-TAG pool" + - compartment: "r" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02734c" + - name: "phosphatidylinositol-3,4,5-trisphosphate" + - compartment: "c" + - formula: "C11H13O22P4R2" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02734n" + - name: "phosphatidylinositol-3,4,5-trisphosphate" + - compartment: "n" + - formula: "C11H13O22P4R2" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02735c" + - name: "phosphatidylinositol-3,5-bisphosphate" + - compartment: "c" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02735r" + - name: "phosphatidylinositol-3,5-bisphosphate" + - compartment: "r" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02736c" + - name: "phosphatidylinositol-4,5-bisphosphate" + - compartment: "c" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02736n" + - name: "phosphatidylinositol-4,5-bisphosphate" + - compartment: "n" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02737c" + - name: "phospho-[beta adrenergic receptor]" + - compartment: "c" + - formula: "C4H7N2O6PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02738c" + - name: "phosphocholine" + - compartment: "c" + - formula: "C5H13NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02738g" + - name: "phosphocholine" + - compartment: "g" + - formula: "C5H13NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02738l" + - name: "phosphocholine" + - compartment: "l" + - formula: "C5H13NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02739c" + - name: "phosphodimethylethanolamine" + - compartment: "c" + - formula: "C4H10NO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02740s" + - name: "phospholipids extracellular pool" + - compartment: "s" + - formula: "C5H5O8PR3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02741c" + - name: "phosphopantetheine" + - compartment: "c" + - formula: "C11H21N2O7PS" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02741m" + - name: "phosphopantetheine" + - compartment: "m" + - formula: "C11H21N2O7PS" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02742c" + - name: "phosphoprotein" + - compartment: "c" + - formula: "XO3P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02743c" + - name: "phosphorhodopsin" + - compartment: "c" + - formula: "C20H28O3PR" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02744c" + - name: "phylloquinone" + - compartment: "c" + - formula: "C31H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02744s" + - name: "phylloquinone" + - compartment: "s" + - formula: "C31H46O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02745c" + - name: "physeteric acid" + - compartment: "c" + - formula: "C14H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02745l" + - name: "physeteric acid" + - compartment: "l" + - formula: "C14H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02745r" + - name: "physeteric acid" + - compartment: "r" + - formula: "C14H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02745s" + - name: "physeteric acid" + - compartment: "s" + - formula: "C14H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02746c" + - name: "phytanic acid" + - compartment: "c" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02746p" + - name: "phytanic acid" + - compartment: "p" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02746s" + - name: "phytanic acid" + - compartment: "s" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02747c" + - name: "phytanoyl-CoA" + - compartment: "c" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02747p" + - name: "phytanoyl-CoA" + - compartment: "p" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02748c" + - name: "phytoceramide pool" + - compartment: "c" + - formula: "C19H38NO4R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02749c" + - name: "phytosphingosine" + - compartment: "c" + - formula: "C18H40NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02750c" + - name: "PI pool" + - compartment: "c" + - formula: "C11H16O13PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02750g" + - name: "PI pool" + - compartment: "g" + - formula: "C11H16O13PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02750l" + - name: "PI pool" + - compartment: "l" + - formula: "C11H16O13PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02750n" + - name: "PI pool" + - compartment: "n" + - formula: "C11H16O13PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02750r" + - name: "PI pool" + - compartment: "r" + - formula: "C11H16O13PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02751c" + - name: "Pi" + - compartment: "c" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02751g" + - name: "Pi" + - compartment: "g" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02751l" + - name: "Pi" + - compartment: "l" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02751m" + - name: "Pi" + - compartment: "m" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02751n" + - name: "Pi" + - compartment: "n" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02751p" + - name: "Pi" + - compartment: "p" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02751r" + - name: "Pi" + - compartment: "r" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02751s" + - name: "Pi" + - compartment: "s" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02752c" + - name: "picolinic acid" + - compartment: "c" + - formula: "C6H4NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02753c" + - name: "plasminogen" + - compartment: "c" + - formula: "C3948H6073N1123O1213S59" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02753l" + - name: "plasminogen" + - compartment: "l" + - formula: "C3948H6073N1123O1213S59" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02753s" + - name: "plasminogen" + - compartment: "s" + - formula: "C3948H6073N1123O1213S59" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02754c" + - name: "PNP" + - compartment: "c" + - formula: "C6H5NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02754s" + - name: "PNP" + - compartment: "s" + - formula: "C6H5NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02755c" + - name: "polynucleotide" + - compartment: "c" + - formula: "C15H23O16P2R3" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02756c" + - name: "porphobilinogen" + - compartment: "c" + - formula: "C10H13N2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02757c" + - name: "PPARA" + - compartment: "c" + - formula: "C2303H3655N619O695S34" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02757l" + - name: "PPARA" + - compartment: "l" + - formula: "C2303H3655N619O695S34" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02757n" + - name: "PPARA" + - compartment: "n" + - formula: "C2303H3655N619O695S34" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02759c" + - name: "PPi" + - compartment: "c" + - formula: "HO7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02759m" + - name: "PPi" + - compartment: "m" + - formula: "HO7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02759n" + - name: "PPi" + - compartment: "n" + - formula: "HO7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02759p" + - name: "PPi" + - compartment: "p" + - formula: "HO7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02759r" + - name: "PPi" + - compartment: "r" + - formula: "HO7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02759s" + - name: "PPi" + - compartment: "s" + - formula: "HO7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02760c" + - name: "pregn-5-ene-3,20-dione" + - compartment: "c" + - formula: "C21H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02761c" + - name: "pregn-5-ene-3,20-dione-17-ol" + - compartment: "c" + - formula: "C21H30O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02762c" + - name: "pregnenolone sulfate" + - compartment: "c" + - formula: "C21H31O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02762r" + - name: "pregnenolone sulfate" + - compartment: "r" + - formula: "C21H31O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02763c" + - name: "pregnenolone" + - compartment: "c" + - formula: "C21H32O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02763m" + - name: "pregnenolone" + - compartment: "m" + - formula: "C21H32O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02763r" + - name: "pregnenolone" + - compartment: "r" + - formula: "C21H32O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02765c" + - name: "previtamin D3" + - compartment: "c" + - formula: "C27H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02766p" + - name: "pristanic acid" + - compartment: "p" + - formula: "C19H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02767c" + - name: "procollagen-5-hydroxy-L-lysine" + - compartment: "c" + - formula: "C7H14N3O3R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02768c" + - name: "procollagen-L-lysine" + - compartment: "c" + - formula: "C7H14N3O2R2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02769c" + - name: "progesterone" + - compartment: "c" + - formula: "C21H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02769r" + - name: "progesterone" + - compartment: "r" + - formula: "C21H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02769s" + - name: "progesterone" + - compartment: "s" + - formula: "C21H30O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02770c" + - name: "proline" + - compartment: "c" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02770l" + - name: "proline" + - compartment: "l" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02770m" + - name: "proline" + - compartment: "m" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02770s" + - name: "proline" + - compartment: "s" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02771c" + - name: "propane-1,2-diol" + - compartment: "c" + - formula: "C3H8O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02772c" + - name: "propanoate" + - compartment: "c" + - formula: "C3H5O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02772m" + - name: "propanoate" + - compartment: "m" + - formula: "C3H5O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02772s" + - name: "propanoate" + - compartment: "s" + - formula: "C3H5O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02773c" + - name: "propanoyl-[ACP]" + - compartment: "c" + - formula: "C14H25N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02774c" + - name: "propanoyl-CoA" + - compartment: "c" + - formula: "C24H36N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02774m" + - name: "propanoyl-CoA" + - compartment: "m" + - formula: "C24H36N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02774p" + - name: "propanoyl-CoA" + - compartment: "p" + - formula: "C24H36N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02775c" + - name: "propinol adenylate" + - compartment: "c" + - formula: "C13H17N5O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02775m" + - name: "propinol adenylate" + - compartment: "m" + - formula: "C13H17N5O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02776c" + - name: "prostaglandin A1" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02776s" + - name: "prostaglandin A1" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02777c" + - name: "prostaglandin A2" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02777s" + - name: "prostaglandin A2" + - compartment: "s" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02778c" + - name: "prostaglandin B1" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02778s" + - name: "prostaglandin B1" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02779c" + - name: "prostaglandin B2" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02779s" + - name: "prostaglandin B2" + - compartment: "s" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02780c" + - name: "prostaglandin C1" + - compartment: "c" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02780s" + - name: "prostaglandin C1" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02781c" + - name: "prostaglandin C2" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02781s" + - name: "prostaglandin C2" + - compartment: "s" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02782c" + - name: "prostaglandin D1" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02782s" + - name: "prostaglandin D1" + - compartment: "s" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02783c" + - name: "prostaglandin D2" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02783r" + - name: "prostaglandin D2" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02783s" + - name: "prostaglandin D2" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02784c" + - name: "prostaglandin D3" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02784s" + - name: "prostaglandin D3" + - compartment: "s" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02785c" + - name: "prostaglandin E1" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02785s" + - name: "prostaglandin E1" + - compartment: "s" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02786c" + - name: "prostaglandin E2" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02786r" + - name: "prostaglandin E2" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02786s" + - name: "prostaglandin E2" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02787c" + - name: "prostaglandin E3" + - compartment: "c" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02787n" + - name: "prostaglandin E3" + - compartment: "n" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02787s" + - name: "prostaglandin E3" + - compartment: "s" + - formula: "C20H29O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02788c" + - name: "prostaglandin F1alpha" + - compartment: "c" + - formula: "C20H35O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02788s" + - name: "prostaglandin F1alpha" + - compartment: "s" + - formula: "C20H35O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02789c" + - name: "prostaglandin F2alpha" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02789s" + - name: "prostaglandin F2alpha" + - compartment: "s" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02790c" + - name: "prostaglandin F2beta" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02790s" + - name: "prostaglandin F2beta" + - compartment: "s" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02792c" + - name: "prostaglandin G2" + - compartment: "c" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02792r" + - name: "prostaglandin G2" + - compartment: "r" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02792s" + - name: "prostaglandin G2" + - compartment: "s" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02793c" + - name: "prostaglandin H1" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02793r" + - name: "prostaglandin H1" + - compartment: "r" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02794c" + - name: "prostaglandin H2" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02794r" + - name: "prostaglandin H2" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02794s" + - name: "prostaglandin H2" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02795c" + - name: "prostaglandin I2" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02795r" + - name: "prostaglandin I2" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02795s" + - name: "prostaglandin I2" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02796c" + - name: "prostaglandin J2" + - compartment: "c" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02796r" + - name: "prostaglandin J2" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02797c" + - name: "prostaglandin-PGB2-glyceryl ester" + - compartment: "c" + - formula: "C23H36O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02798c" + - name: "prostaglandin-PGE2-1-glyceryl ester" + - compartment: "c" + - formula: "C23H38O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02799c" + - name: "prostaglandin-PGE2-3-glyceryl ester" + - compartment: "c" + - formula: "C23H38O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02800c" + - name: "prostaglandin-PGE2-glyceryl ester" + - compartment: "c" + - formula: "C23H38O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02801c" + - name: "protamine" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02802c" + - name: "prothrombin" + - compartment: "c" + - formula: "C3066H4754N874O941S35" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02802l" + - name: "prothrombin" + - compartment: "l" + - formula: "C3066H4754N874O941S35" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02802s" + - name: "prothrombin" + - compartment: "s" + - formula: "C3066H4754N874O941S35" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02803c" + - name: "protoporphyrin" + - compartment: "c" + - formula: "C34H32N4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02803m" + - name: "protoporphyrin" + - compartment: "m" + - formula: "C34H32N4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02804c" + - name: "protoporphyrinogen IX" + - compartment: "c" + - formula: "C34H38N4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02804m" + - name: "protoporphyrinogen IX" + - compartment: "m" + - formula: "C34H38N4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02805c" + - name: "provitamin D3" + - compartment: "c" + - formula: "C27H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02806c" + - name: "PRPP" + - compartment: "c" + - formula: "C5H8O14P3" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02806s" + - name: "PRPP" + - compartment: "s" + - formula: "C5H8O14P3" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02808c" + - name: "PS-LD pool" + - compartment: "c" + - formula: "C8H11NO10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02808l" + - name: "PS-LD pool" + - compartment: "l" + - formula: "C8H11NO10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02808r" + - name: "PS-LD pool" + - compartment: "r" + - formula: "C8H11NO10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02810c" + - name: "psychosine" + - compartment: "c" + - formula: "C24H48NO7" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02810l" + - name: "psychosine" + - compartment: "l" + - formula: "C24H48NO7" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02811c" + - name: "putreanine" + - compartment: "c" + - formula: "C7H17N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02812c" + - name: "putrescine" + - compartment: "c" + - formula: "C4H14N2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02812m" + - name: "putrescine" + - compartment: "m" + - formula: "C4H14N2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02812p" + - name: "putrescine" + - compartment: "p" + - formula: "C4H14N2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02812s" + - name: "putrescine" + - compartment: "s" + - formula: "C4H14N2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02813c" + - name: "pyridoxal" + - compartment: "c" + - formula: "C8H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02813s" + - name: "pyridoxal" + - compartment: "s" + - formula: "C8H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02814c" + - name: "pyridoxal-phosphate" + - compartment: "c" + - formula: "C8H8NO6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02814s" + - name: "pyridoxal-phosphate" + - compartment: "s" + - formula: "C8H8NO6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02815c" + - name: "pyridoxamine" + - compartment: "c" + - formula: "C8H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02815s" + - name: "pyridoxamine" + - compartment: "s" + - formula: "C8H13N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02816c" + - name: "pyridoxamine-phosphate" + - compartment: "c" + - formula: "C8H12N2O5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02817c" + - name: "pyridoxine" + - compartment: "c" + - formula: "C8H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02817s" + - name: "pyridoxine" + - compartment: "s" + - formula: "C8H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02818c" + - name: "pyridoxine-phosphate" + - compartment: "c" + - formula: "C8H10NO6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02819c" + - name: "pyruvate" + - compartment: "c" + - formula: "C3H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02819m" + - name: "pyruvate" + - compartment: "m" + - formula: "C3H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02819p" + - name: "pyruvate" + - compartment: "p" + - formula: "C3H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02819s" + - name: "pyruvate" + - compartment: "s" + - formula: "C3H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02820c" + - name: "queuine" + - compartment: "c" + - formula: "C12H15N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02821s" + - name: "quinidine" + - compartment: "s" + - formula: "C20H25N2O2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02822c" + - name: "quinolinate" + - compartment: "c" + - formula: "C7H3NO4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02823c" + - name: "quinonoid dihydrobiopterin" + - compartment: "c" + - formula: "C9H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02823n" + - name: "quinonoid dihydrobiopterin" + - compartment: "n" + - formula: "C9H13N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02824c" + - name: "rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinoate" + - compartment: "c" + - formula: "C26H34O9" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02824r" + - name: "rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinoate" + - compartment: "r" + - formula: "C26H34O9" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02825c" + - name: "rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl-acetate" + - compartment: "c" + - formula: "C28H39O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02825r" + - name: "rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl-acetate" + - compartment: "r" + - formula: "C28H39O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02826c" + - name: "rac-5,6-epoxy-retinoyl-beta-D-glucuronide" + - compartment: "c" + - formula: "C26H35O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02826r" + - name: "rac-5,6-epoxy-retinoyl-beta-D-glucuronide" + - compartment: "r" + - formula: "C26H35O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02828m" + - name: "reduced ferredoxin" + - compartment: "m" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02832c" + - name: "retinal" + - compartment: "c" + - formula: "C20H28O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02832r" + - name: "retinal" + - compartment: "r" + - formula: "C20H28O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02833c" + - name: "retinoate" + - compartment: "c" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02833r" + - name: "retinoate" + - compartment: "r" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02833s" + - name: "retinoate" + - compartment: "s" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02834c" + - name: "retinol" + - compartment: "c" + - formula: "C20H30O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02834r" + - name: "retinol" + - compartment: "r" + - formula: "C20H30O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02834s" + - name: "retinol" + - compartment: "s" + - formula: "C20H30O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02835c" + - name: "retinoyl-CoA" + - compartment: "c" + - formula: "C41H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02836c" + - name: "retinoyl-glucuronide" + - compartment: "c" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02836r" + - name: "retinoyl-glucuronide" + - compartment: "r" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02836s" + - name: "retinoyl-glucuronide" + - compartment: "s" + - formula: "C26H35O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02837s" + - name: "retinyl palmitate" + - compartment: "s" + - formula: "C36H60O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02838c" + - name: "retinyl-ester" + - compartment: "c" + - formula: "C21H29O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02839c" + - name: "reverse triiodthyronine" + - compartment: "c" + - formula: "C15H12I3NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02839r" + - name: "reverse triiodthyronine" + - compartment: "r" + - formula: "C15H12I3NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02839s" + - name: "reverse triiodthyronine" + - compartment: "s" + - formula: "C15H12I3NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02840c" + - name: "rhodopsin" + - compartment: "c" + - formula: "C20H28R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02841c" + - name: "ribitol" + - compartment: "c" + - formula: "C5H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02841s" + - name: "ribitol" + - compartment: "s" + - formula: "C5H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02842c" + - name: "riboflavin" + - compartment: "c" + - formula: "C17H20N4O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02842s" + - name: "riboflavin" + - compartment: "s" + - formula: "C17H20N4O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02843c" + - name: "ribose" + - compartment: "c" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02843s" + - name: "ribose" + - compartment: "s" + - formula: "C5H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02844c" + - name: "ribose-1-phosphate" + - compartment: "c" + - formula: "C5H9O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02845c" + - name: "ribose-5-phosphate" + - compartment: "c" + - formula: "C5H9O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02845r" + - name: "ribose-5-phosphate" + - compartment: "r" + - formula: "C5H9O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02846c" + - name: "ribulose-5-phosphate" + - compartment: "c" + - formula: "C5H9O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02846r" + - name: "ribulose-5-phosphate" + - compartment: "r" + - formula: "C5H9O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02847c" + - name: "RNA" + - compartment: "c" + - formula: "C15H22O19P3R3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02848c" + - name: "RNA-3-terminal-phosphate" + - compartment: "c" + - formula: "C15H22O19P3R3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02849c" + - name: "RNA-terminal-2,3-cyclic-phosphate" + - compartment: "c" + - formula: "C15H21O18P3R3" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02850c" + - name: "S-(1,2-dichlorovinyl)glutathione" + - compartment: "c" + - formula: "C12H16Cl2N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02851c" + - name: "S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione" + - compartment: "c" + - formula: "C30H49N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02852c" + - name: "S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione" + - compartment: "c" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02853c" + - name: "S-(2,2-dichloro-1-hydroxy)ethyl glutathione" + - compartment: "c" + - formula: "C12H19Cl2N3O7S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02854c" + - name: "S-(2-chloroacetyl)glutathione" + - compartment: "c" + - formula: "C12H17ClN3O7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02855c" + - name: "S-(2-hydroxyethyl)glutathione" + - compartment: "c" + - formula: "C12H20N3O7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02856m" + - name: "S-(2-methylbutanoyl)-dihydrolipoamide" + - compartment: "m" + - formula: "C13H25NO2S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02857m" + - name: "S-(2-methylpropanoyl)-dihydrolipoamide" + - compartment: "m" + - formula: "C12H23NO2S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02858m" + - name: "S-(3-methylbutanoyl)-dihydrolipoamide" + - compartment: "m" + - formula: "C13H25NO2S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02859c" + - name: "S-(9-deoxy-delta12-PGD2)-glutathione" + - compartment: "c" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02860c" + - name: "S-(9-deoxy-delta9,12-PGD2)-glutathione" + - compartment: "c" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02861c" + - name: "S-(formylmethyl)glutathione" + - compartment: "c" + - formula: "C12H17N3O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02862c" + - name: "S-(PGA1)-glutathione" + - compartment: "c" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02863c" + - name: "S-(PGA2)-glutathione" + - compartment: "c" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02864c" + - name: "S-(PGJ2)-glutathione" + - compartment: "c" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02865c" + - name: "S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-3-thiolactate" + - compartment: "c" + - formula: "C9H10N2O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02866c" + - name: "S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]glutathione" + - compartment: "c" + - formula: "C16H21N5O8S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02867c" + - name: "S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-L-cysteine" + - compartment: "c" + - formula: "C9H12N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02868m" + - name: "saccharopine" + - compartment: "m" + - formula: "C11H19N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02869m" + - name: "S-acetyldihydrolipoamide" + - compartment: "m" + - formula: "C10H19NO2S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02870c" + - name: "S-adenosylmethioninamine" + - compartment: "c" + - formula: "C14H24N6O3S" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02871c" + - name: "SAH" + - compartment: "c" + - formula: "C14H20N6O5S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02871m" + - name: "SAH" + - compartment: "m" + - formula: "C14H20N6O5S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02871n" + - name: "SAH" + - compartment: "n" + - formula: "C14H20N6O5S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02871r" + - name: "SAH" + - compartment: "r" + - formula: "C14H20N6O5S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02872c" + - name: "SAICAR" + - compartment: "c" + - formula: "C13H15N4O12P" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02875c" + - name: "salsolinol" + - compartment: "c" + - formula: "C10H14NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02876c" + - name: "salsolinol-1-carboxylate" + - compartment: "c" + - formula: "C11H13NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02877c" + - name: "SAM" + - compartment: "c" + - formula: "C15H23N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02877m" + - name: "SAM" + - compartment: "m" + - formula: "C15H23N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02877n" + - name: "SAM" + - compartment: "n" + - formula: "C15H23N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02877r" + - name: "SAM" + - compartment: "r" + - formula: "C15H23N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02878m" + - name: "S-aminomethyldihydrolipoamide" + - compartment: "m" + - formula: "C9H21N2OS2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02879m" + - name: "S-aminomethyldihydrolipoylprotein" + - compartment: "m" + - formula: "CH6NS2X" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02880c" + - name: "sarcosine" + - compartment: "c" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02880m" + - name: "sarcosine" + - compartment: "m" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02880p" + - name: "sarcosine" + - compartment: "p" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02880s" + - name: "sarcosine" + - compartment: "s" + - formula: "C3H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02881c" + - name: "se-adenosyl-L-selenohomocysteine" + - compartment: "c" + - formula: "C14H20N6O5Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02881n" + - name: "se-adenosyl-L-selenohomocysteine" + - compartment: "n" + - formula: "C14H20N6O5Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02882c" + - name: "se-adenosylselenomethionine" + - compartment: "c" + - formula: "C15H23N6O5Se" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02882n" + - name: "se-adenosylselenomethionine" + - compartment: "n" + - formula: "C15H23N6O5Se" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02883c" + - name: "sedoheptulose-1,7-bisphosphate" + - compartment: "c" + - formula: "C7H12O13P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02884c" + - name: "sedoheptulose-7-phosphate" + - compartment: "c" + - formula: "C7H13O10P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02885c" + - name: "selenate" + - compartment: "c" + - formula: "O4Se" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02885s" + - name: "selenate" + - compartment: "s" + - formula: "O4Se" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02886c" + - name: "selenide" + - compartment: "c" + - formula: "HSe" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02887c" + - name: "selenite" + - compartment: "c" + - formula: "SeO3" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02888c" + - name: "selenocystathionine" + - compartment: "c" + - formula: "C7H14N2O4Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02889c" + - name: "selenocysteine" + - compartment: "c" + - formula: "C3H7NO2Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02890c" + - name: "selenohomocysteine" + - compartment: "c" + - formula: "C4H9NO2Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02891c" + - name: "selenomethionine" + - compartment: "c" + - formula: "C5H11NO2Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02892c" + - name: "selenomethionine-se-oxide" + - compartment: "c" + - formula: "C5H11NO3Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02893c" + - name: "selenomethionyl-tRNA(met)" + - compartment: "c" + - formula: "C5H11NOSeR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02894c" + - name: "selenophosphate" + - compartment: "c" + - formula: "H2O3PSe" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02895c" + - name: "se-methyl-L-selenocysteine" + - compartment: "c" + - formula: "C4H9NO2Se" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02896c" + - name: "serine" + - compartment: "c" + - formula: "C3H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02896l" + - name: "serine" + - compartment: "l" + - formula: "C3H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02896m" + - name: "serine" + - compartment: "m" + - formula: "C3H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02896p" + - name: "serine" + - compartment: "p" + - formula: "C3H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02896s" + - name: "serine" + - compartment: "s" + - formula: "C3H7NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02897c" + - name: "serotonin" + - compartment: "c" + - formula: "C10H13N2O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02897s" + - name: "serotonin" + - compartment: "s" + - formula: "C10H13N2O" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02898c" + - name: "S-farnesyl-protein" + - compartment: "c" + - formula: "C19H30N2O2SR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02899m" + - name: "S-glutaryldihydrolipoamide" + - compartment: "m" + - formula: "C13H22NO4S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02900c" + - name: "S-glutathionyl-2-4-dinitrobenzene" + - compartment: "c" + - formula: "C16H17N5O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02900s" + - name: "S-glutathionyl-2-4-dinitrobenzene" + - compartment: "s" + - formula: "C16H17N5O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02901c" + - name: "S-glutathionyl-ethacrynic acid" + - compartment: "c" + - formula: "C23H25Cl2N3O9S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02901s" + - name: "S-glutathionyl-ethacrynic acid" + - compartment: "s" + - formula: "C23H25Cl2N3O9S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02902c" + - name: "sialyl(1,3)-sialyl(2,6)-galactosylgloboside" + - compartment: "c" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02902g" + - name: "sialyl(1,3)-sialyl(2,6)-galactosylgloboside" + - compartment: "g" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02902s" + - name: "sialyl(1,3)-sialyl(2,6)-galactosylgloboside" + - compartment: "s" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02903c" + - name: "sialyl(2,3)-sialyl(2,6)-galactosylgloboside" + - compartment: "c" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02903g" + - name: "sialyl(2,3)-sialyl(2,6)-galactosylgloboside" + - compartment: "g" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02903s" + - name: "sialyl(2,3)-sialyl(2,6)-galactosylgloboside" + - compartment: "s" + - formula: "C72H121N4O43RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02904c" + - name: "sialyl-3-paragloboside" + - compartment: "c" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02904g" + - name: "sialyl-3-paragloboside" + - compartment: "g" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02907c" + - name: "sialyl-Tn antigen" + - compartment: "c" + - formula: "C19H30N2O13X" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02907g" + - name: "sialyl-Tn antigen" + - compartment: "g" + - formula: "C19H30N2O13X" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02907s" + - name: "sialyl-Tn antigen" + - compartment: "s" + - formula: "C19H30N2O13X" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02908c" + - name: "SM pool" + - compartment: "c" + - formula: "C23H48N2O5PRCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02908g" + - name: "SM pool" + - compartment: "g" + - formula: "C23H48N2O5PRCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02908l" + - name: "SM pool" + - compartment: "l" + - formula: "C23H48N2O5PRCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02908r" + - name: "SM pool" + - compartment: "r" + - formula: "C23H48N2O5PRCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02909s" + - name: "SMCFA-blood-pool" + - compartment: "s" + - formula: "CHO2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02910c" + - name: "S-methyl-5-thio-D-ribulose-1-phosphate" + - compartment: "c" + - formula: "C6H11O7PS" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02911c" + - name: "sn-glycero-3-phospho-1-inositol" + - compartment: "c" + - formula: "C9H18O11P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02912c" + - name: "sn-glycerol-3-PC" + - compartment: "c" + - formula: "C8H20NO6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02913c" + - name: "sn-glycerol-3-PE" + - compartment: "c" + - formula: "C5H14NO6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02914c" + - name: "sn-glycerol-3-phosphate" + - compartment: "c" + - formula: "C3H7O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02914m" + - name: "sn-glycerol-3-phosphate" + - compartment: "m" + - formula: "C3H7O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02914p" + - name: "sn-glycerol-3-phosphate" + - compartment: "p" + - formula: "C3H7O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02915c" + - name: "somatostatin fragment 3-14" + - compartment: "c" + - formula: "C72H100N16O17S2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02916c" + - name: "somatostatin" + - compartment: "c" + - formula: "C77H108N18O19S2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02917c" + - name: "sorbitol-3-phosphate" + - compartment: "c" + - formula: "C6H13O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02918c" + - name: "S-palmitoylprotein" + - compartment: "c" + - formula: "C20H36N2O3SR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02919c" + - name: "spermic acid 1" + - compartment: "c" + - formula: "C10H25N3O2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02920c" + - name: "spermidine dialdehyde" + - compartment: "c" + - formula: "C7H14NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02920p" + - name: "spermidine dialdehyde" + - compartment: "p" + - formula: "C7H14NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02920s" + - name: "spermidine dialdehyde" + - compartment: "s" + - formula: "C7H14NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02921c" + - name: "spermidine monoaldehyde 1" + - compartment: "c" + - formula: "C7H18N2O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02921s" + - name: "spermidine monoaldehyde 1" + - compartment: "s" + - formula: "C7H18N2O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02922c" + - name: "spermidine monoaldehyde 2" + - compartment: "c" + - formula: "C7H18N2O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02922s" + - name: "spermidine monoaldehyde 2" + - compartment: "s" + - formula: "C7H18N2O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02923c" + - name: "spermidine" + - compartment: "c" + - formula: "C7H22N3" + - charge: 3 + - inchis: "" + - !!omap + - id: "m02923p" + - name: "spermidine" + - compartment: "p" + - formula: "C7H22N3" + - charge: 3 + - inchis: "" + - !!omap + - id: "m02923s" + - name: "spermidine" + - compartment: "s" + - formula: "C7H22N3" + - charge: 3 + - inchis: "" + - !!omap + - id: "m02924c" + - name: "spermine dialdehyde" + - compartment: "c" + - formula: "C10H22N2O2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02924p" + - name: "spermine dialdehyde" + - compartment: "p" + - formula: "C10H22N2O2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02924s" + - name: "spermine dialdehyde" + - compartment: "s" + - formula: "C10H22N2O2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02925c" + - name: "spermine monoaldehyde" + - compartment: "c" + - formula: "C10H26N3O" + - charge: 3 + - inchis: "" + - !!omap + - id: "m02925s" + - name: "spermine monoaldehyde" + - compartment: "s" + - formula: "C10H26N3O" + - charge: 3 + - inchis: "" + - !!omap + - id: "m02926c" + - name: "spermine" + - compartment: "c" + - formula: "C10H30N4" + - charge: 4 + - inchis: "" + - !!omap + - id: "m02926p" + - name: "spermine" + - compartment: "p" + - formula: "C10H30N4" + - charge: 4 + - inchis: "" + - !!omap + - id: "m02926s" + - name: "spermine" + - compartment: "s" + - formula: "C10H30N4" + - charge: 4 + - inchis: "" + - !!omap + - id: "m02927c" + - name: "sphinganine" + - compartment: "c" + - formula: "C18H40NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02927r" + - name: "sphinganine" + - compartment: "r" + - formula: "C18H40NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02928c" + - name: "sphinganine-1-phosphate" + - compartment: "c" + - formula: "C18H39NO5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02928r" + - name: "sphinganine-1-phosphate" + - compartment: "r" + - formula: "C18H39NO5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02928s" + - name: "sphinganine-1-phosphate" + - compartment: "s" + - formula: "C18H39NO5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02929c" + - name: "sphingosine" + - compartment: "c" + - formula: "C18H38NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02929g" + - name: "sphingosine" + - compartment: "g" + - formula: "C18H38NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02929l" + - name: "sphingosine" + - compartment: "l" + - formula: "C18H38NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02929r" + - name: "sphingosine" + - compartment: "r" + - formula: "C18H38NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02929s" + - name: "sphingosine" + - compartment: "s" + - formula: "C18H38NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02930c" + - name: "sphingosine-1-phosphate" + - compartment: "c" + - formula: "C18H37NO5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02930r" + - name: "sphingosine-1-phosphate" + - compartment: "r" + - formula: "C18H37NO5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02930s" + - name: "sphingosine-1-phosphate" + - compartment: "s" + - formula: "C18H37NO5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02931c" + - name: "sphingosylphosphorylcholine" + - compartment: "c" + - formula: "C23H50N2O5P" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02931s" + - name: "sphingosylphosphorylcholine" + - compartment: "s" + - formula: "C23H50N2O5P" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02933c" + - name: "squalene" + - compartment: "c" + - formula: "C30H50" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02934m" + - name: "S-succinyldihydrolipoamide" + - compartment: "m" + - formula: "C12H20NO4S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02935c" + - name: "STAR" + - compartment: "c" + - formula: "C1393H2267N409O414S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02935l" + - name: "STAR" + - compartment: "l" + - formula: "C1393H2267N409O414S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02935m" + - name: "STAR" + - compartment: "m" + - formula: "C1393H2267N409O414S17" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02936s" + - name: "starch structure 1" + - compartment: "s" + - formula: "C66H112O56" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02937s" + - name: "starch structure 2" + - compartment: "s" + - formula: "C18H32O16" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02938c" + - name: "stearate" + - compartment: "c" + - formula: "C18H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02938l" + - name: "stearate" + - compartment: "l" + - formula: "C18H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02938r" + - name: "stearate" + - compartment: "r" + - formula: "C18H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02938s" + - name: "stearate" + - compartment: "s" + - formula: "C18H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02939c" + - name: "stearidonic acid" + - compartment: "c" + - formula: "C18H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02939l" + - name: "stearidonic acid" + - compartment: "l" + - formula: "C18H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02939r" + - name: "stearidonic acid" + - compartment: "r" + - formula: "C18H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02939s" + - name: "stearidonic acid" + - compartment: "s" + - formula: "C18H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02940c" + - name: "stearoylcarnitine" + - compartment: "c" + - formula: "C25H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02940m" + - name: "stearoylcarnitine" + - compartment: "m" + - formula: "C25H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02940r" + - name: "stearoylcarnitine" + - compartment: "r" + - formula: "C25H49NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02941c" + - name: "stearoyl-CoA" + - compartment: "c" + - formula: "C39H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02941m" + - name: "stearoyl-CoA" + - compartment: "m" + - formula: "C39H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02941p" + - name: "stearoyl-CoA" + - compartment: "p" + - formula: "C39H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02941r" + - name: "stearoyl-CoA" + - compartment: "r" + - formula: "C39H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02942m" + - name: "succinate semialdehyde" + - compartment: "m" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02943c" + - name: "succinate" + - compartment: "c" + - formula: "C4H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02943m" + - name: "succinate" + - compartment: "m" + - formula: "C4H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02943p" + - name: "succinate" + - compartment: "p" + - formula: "C4H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02943s" + - name: "succinate" + - compartment: "s" + - formula: "C4H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02944c" + - name: "succinyl-CoA" + - compartment: "c" + - formula: "C25H35N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02944m" + - name: "succinyl-CoA" + - compartment: "m" + - formula: "C25H35N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02945s" + - name: "sucrose" + - compartment: "s" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02946c" + - name: "sulfate" + - compartment: "c" + - formula: "O4S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02946l" + - name: "sulfate" + - compartment: "l" + - formula: "O4S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02946m" + - name: "sulfate" + - compartment: "m" + - formula: "O4S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02946r" + - name: "sulfate" + - compartment: "r" + - formula: "O4S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02946s" + - name: "sulfate" + - compartment: "s" + - formula: "O4S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02947c" + - name: "sulfatide galactocerebroside" + - compartment: "c" + - formula: "C24H45NO10SRCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02947g" + - name: "sulfatide galactocerebroside" + - compartment: "g" + - formula: "C24H45NO10SRCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02947l" + - name: "sulfatide galactocerebroside" + - compartment: "l" + - formula: "C24H45NO10SRCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02949c" + - name: "sulfite" + - compartment: "c" + - formula: "O3S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02949m" + - name: "sulfite" + - compartment: "m" + - formula: "O3S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02949s" + - name: "sulfite" + - compartment: "s" + - formula: "O3S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02950c" + - name: "sulfochenodeoxycholate" + - compartment: "c" + - formula: "C24H38O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02950s" + - name: "sulfochenodeoxycholate" + - compartment: "s" + - formula: "C24H38O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02951c" + - name: "sulfoglycolithocholate" + - compartment: "c" + - formula: "C26H41NO7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02951s" + - name: "sulfoglycolithocholate" + - compartment: "s" + - formula: "C26H41NO7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02952c" + - name: "sulfotaurolithocholate" + - compartment: "c" + - formula: "C26H43NO8S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02952s" + - name: "sulfotaurolithocholate" + - compartment: "s" + - formula: "C26H43NO8S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02953c" + - name: "tachysterol 3" + - compartment: "c" + - formula: "C27H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02954c" + - name: "TAG epoxide" + - compartment: "c" + - formula: "C2HCl3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02955c" + - name: "tagatose-1,6-bisphosphate" + - compartment: "c" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02956s" + - name: "TAG-chylomicron pool" + - compartment: "s" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02957s" + - name: "TAG-extraction" + - compartment: "s" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02958c" + - name: "TAG-LD pool" + - compartment: "c" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02958l" + - name: "TAG-LD pool" + - compartment: "l" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02958r" + - name: "TAG-LD pool" + - compartment: "r" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02959s" + - name: "TAG-VLDL pool" + - compartment: "s" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02960g" + - name: "T-antigen" + - compartment: "g" + - formula: "C14H24NO10X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02961c" + - name: "taurine" + - compartment: "c" + - formula: "C2H7NO3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02961s" + - name: "taurine" + - compartment: "s" + - formula: "C2H7NO3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02962c" + - name: "taurochenodeoxycholate" + - compartment: "c" + - formula: "C26H45NO6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02962p" + - name: "taurochenodeoxycholate" + - compartment: "p" + - formula: "C26H45NO6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02962s" + - name: "taurochenodeoxycholate" + - compartment: "s" + - formula: "C26H45NO6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02963c" + - name: "taurocholate" + - compartment: "c" + - formula: "C26H45NO7S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02963p" + - name: "taurocholate" + - compartment: "p" + - formula: "C26H45NO7S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02963s" + - name: "taurocholate" + - compartment: "s" + - formula: "C26H45NO7S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02964c" + - name: "taurodeoxycholate" + - compartment: "c" + - formula: "C26H44NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02964p" + - name: "taurodeoxycholate" + - compartment: "p" + - formula: "C26H44NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02965c" + - name: "taurolithocholate" + - compartment: "c" + - formula: "C26H44NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02965p" + - name: "taurolithocholate" + - compartment: "p" + - formula: "C26H44NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02965s" + - name: "taurolithocholate" + - compartment: "s" + - formula: "C26H44NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02966c" + - name: "tauroursodeoxycholate" + - compartment: "c" + - formula: "C26H45NO6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02966s" + - name: "tauroursodeoxycholate" + - compartment: "s" + - formula: "C26H45NO6S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02967c" + - name: "testosterone glucuronide" + - compartment: "c" + - formula: "C25H36O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02967r" + - name: "testosterone glucuronide" + - compartment: "r" + - formula: "C25H36O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02967s" + - name: "testosterone glucuronide" + - compartment: "s" + - formula: "C25H36O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02968c" + - name: "testosterone sulfate" + - compartment: "c" + - formula: "C19H27O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02968s" + - name: "testosterone sulfate" + - compartment: "s" + - formula: "C19H27O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02969c" + - name: "testosterone" + - compartment: "c" + - formula: "C19H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02969r" + - name: "testosterone" + - compartment: "r" + - formula: "C19H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02969s" + - name: "testosterone" + - compartment: "s" + - formula: "C19H28O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02970c" + - name: "tetracosanoylcarnitine" + - compartment: "c" + - formula: "C31H61NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02970r" + - name: "tetracosanoylcarnitine" + - compartment: "r" + - formula: "C31H61NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02971c" + - name: "tetracosanoyl-CoA" + - compartment: "c" + - formula: "C45H78N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02971p" + - name: "tetracosanoyl-CoA" + - compartment: "p" + - formula: "C45H78N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02971r" + - name: "tetracosanoyl-CoA" + - compartment: "r" + - formula: "C45H78N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02972c" + - name: "tetradecanoyl-[ACP]" + - compartment: "c" + - formula: "C25H47N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02973c" + - name: "tetradecanoylcarnitine" + - compartment: "c" + - formula: "C21H41NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02973m" + - name: "tetradecanoylcarnitine" + - compartment: "m" + - formula: "C21H41NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02973r" + - name: "tetradecanoylcarnitine" + - compartment: "r" + - formula: "C21H41NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02974c" + - name: "tetradecenoylcarnitine(5)" + - compartment: "c" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02974m" + - name: "tetradecenoylcarnitine(5)" + - compartment: "m" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02974r" + - name: "tetradecenoylcarnitine(5)" + - compartment: "r" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02975c" + - name: "tetradecenoylcarnitine(7)" + - compartment: "c" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02975m" + - name: "tetradecenoylcarnitine(7)" + - compartment: "m" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02975r" + - name: "tetradecenoylcarnitine(7)" + - compartment: "r" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02976c" + - name: "tetradecenoylcarnitine(9)" + - compartment: "c" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02976m" + - name: "tetradecenoylcarnitine(9)" + - compartment: "m" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02976r" + - name: "tetradecenoylcarnitine(9)" + - compartment: "r" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02977c" + - name: "tetraHCA" + - compartment: "c" + - formula: "C27H45O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02977m" + - name: "tetraHCA" + - compartment: "m" + - formula: "C27H45O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02978c" + - name: "tetrahydrobiopterin" + - compartment: "c" + - formula: "C9H15N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02978n" + - name: "tetrahydrobiopterin" + - compartment: "n" + - formula: "C9H15N5O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02979c" + - name: "tetrahydropteroyltri-L-glutamate" + - compartment: "c" + - formula: "C29H37N9O12" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02980c" + - name: "THF" + - compartment: "c" + - formula: "C19H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02980l" + - name: "THF" + - compartment: "l" + - formula: "C19H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02980m" + - name: "THF" + - compartment: "m" + - formula: "C19H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02980s" + - name: "THF" + - compartment: "s" + - formula: "C19H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02981c" + - name: "THF-hexaglutamate" + - compartment: "c" + - formula: "C49H57N13O24" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02982c" + - name: "thiamin" + - compartment: "c" + - formula: "C12H17N4OS" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02982s" + - name: "thiamin" + - compartment: "s" + - formula: "C12H17N4OS" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02983c" + - name: "thiamin-P" + - compartment: "c" + - formula: "C12H16N4O4PS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02983m" + - name: "thiamin-P" + - compartment: "m" + - formula: "C12H16N4O4PS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02983s" + - name: "thiamin-P" + - compartment: "s" + - formula: "C12H16N4O4PS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02984c" + - name: "thiamin-PP" + - compartment: "c" + - formula: "C12H16N4O7P2S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02984m" + - name: "thiamin-PP" + - compartment: "m" + - formula: "C12H16N4O7P2S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02985c" + - name: "thiamin-PPP" + - compartment: "c" + - formula: "C12H16N4O10P3S" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02985s" + - name: "thiamin-PPP" + - compartment: "s" + - formula: "C12H16N4O10P3S" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02986c" + - name: "thiocyanate" + - compartment: "c" + - formula: "CNS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02986m" + - name: "thiocyanate" + - compartment: "m" + - formula: "CNS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02986s" + - name: "thiocyanate" + - compartment: "s" + - formula: "CNS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02987c" + - name: "thiocysteine" + - compartment: "c" + - formula: "C3H7NO2S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02988c" + - name: "thiol" + - compartment: "c" + - formula: "HSR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02990c" + - name: "thioredoxin" + - compartment: "c" + - formula: "C525H816N128O160S8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02990m" + - name: "thioredoxin" + - compartment: "m" + - formula: "C525H816N128O160S8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02990n" + - name: "thioredoxin" + - compartment: "n" + - formula: "C525H816N128O160S8" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02991c" + - name: "thiosulfate" + - compartment: "c" + - formula: "O3S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02991m" + - name: "thiosulfate" + - compartment: "m" + - formula: "O3S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02991s" + - name: "thiosulfate" + - compartment: "s" + - formula: "O3S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02992c" + - name: "threonate" + - compartment: "c" + - formula: "C4H7O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02993c" + - name: "threonine" + - compartment: "c" + - formula: "C4H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02993l" + - name: "threonine" + - compartment: "l" + - formula: "C4H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02993m" + - name: "threonine" + - compartment: "m" + - formula: "C4H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02993s" + - name: "threonine" + - compartment: "s" + - formula: "C4H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02994c" + - name: "thromboxane A2" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02994r" + - name: "thromboxane A2" + - compartment: "r" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02994s" + - name: "thromboxane A2" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02995c" + - name: "thromboxane B2" + - compartment: "c" + - formula: "C20H33O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02995r" + - name: "thromboxane B2" + - compartment: "r" + - formula: "C20H33O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02995s" + - name: "thromboxane B2" + - compartment: "s" + - formula: "C20H33O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02996c" + - name: "thymidine" + - compartment: "c" + - formula: "C10H14N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02996l" + - name: "thymidine" + - compartment: "l" + - formula: "C10H14N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02996m" + - name: "thymidine" + - compartment: "m" + - formula: "C10H14N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02996s" + - name: "thymidine" + - compartment: "s" + - formula: "C10H14N2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02997c" + - name: "thymine" + - compartment: "c" + - formula: "C5H6N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02997m" + - name: "thymine" + - compartment: "m" + - formula: "C5H6N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02997s" + - name: "thymine" + - compartment: "s" + - formula: "C5H6N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02998c" + - name: "thyroxine" + - compartment: "c" + - formula: "C15H11I4NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02998r" + - name: "thyroxine" + - compartment: "r" + - formula: "C15H11I4NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02998s" + - name: "thyroxine" + - compartment: "s" + - formula: "C15H11I4NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02999m" + - name: "tiglyl-CoA" + - compartment: "m" + - formula: "C26H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03000g" + - name: "Tn-antigen" + - compartment: "g" + - formula: "C8H14NO5X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03000l" + - name: "Tn-antigen" + - compartment: "l" + - formula: "C8H14NO5X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03001c" + - name: "tolbutamide" + - compartment: "c" + - formula: "C12H18N2O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03001s" + - name: "tolbutamide" + - compartment: "s" + - formula: "C12H18N2O3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03002c" + - name: "trans,cis,cis,cis,cis-2,10,13,16,19-docosapentaenoyl-CoA" + - compartment: "c" + - formula: "C43H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03003c" + - name: "trans,cis,cis,cis,cis-2,12,15,18,21-tetracosapentaenoyl-CoA" + - compartment: "c" + - formula: "C45H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03004c" + - name: "trans,cis,cis,cis-2,10,13,16-docosatetraenoyl-CoA" + - compartment: "c" + - formula: "C43H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03005c" + - name: "trans,cis,cis,cis-2,11,14,17-eicosatetraenoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03006c" + - name: "trans,cis,cis,cis-2,13,16,19-docosatetraenoyl-CoA" + - compartment: "c" + - formula: "C43H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03007c" + - name: "trans,cis,cis-2,11,14-eicosatrienoyl-CoA" + - compartment: "c" + - formula: "C41H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03008c" + - name: "trans,cis,cis-2,13,16-docasatrienoyl-CoA" + - compartment: "c" + - formula: "C43H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03009m" + - name: "trans,cis,cis-2,7,10-hexadecatrienoyl-CoA" + - compartment: "m" + - formula: "C37H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03009p" + - name: "trans,cis,cis-2,7,10-hexadecatrienoyl-CoA" + - compartment: "p" + - formula: "C37H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03010m" + - name: "trans,cis,cis-2,9,12-octadecatrienoyl-CoA" + - compartment: "m" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03010p" + - name: "trans,cis,cis-2,9,12-octadecatrienoyl-CoA" + - compartment: "p" + - formula: "C39H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03011c" + - name: "trans,cis-2,11-docosadienoyl-CoA" + - compartment: "c" + - formula: "C43H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03012c" + - name: "trans,cis-2,11-eicosadienoyl-CoA" + - compartment: "c" + - formula: "C41H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03012m" + - name: "trans,cis-2,11-eicosadienoyl-CoA" + - compartment: "m" + - formula: "C41H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03012p" + - name: "trans,cis-2,11-eicosadienoyl-CoA" + - compartment: "p" + - formula: "C41H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03013c" + - name: "trans,cis-2,13-docosadienoyl-CoA" + - compartment: "c" + - formula: "C43H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03013m" + - name: "trans,cis-2,13-docosadienoyl-CoA" + - compartment: "m" + - formula: "C43H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03013p" + - name: "trans,cis-2,13-docosadienoyl-CoA" + - compartment: "p" + - formula: "C43H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03014c" + - name: "trans,cis-2,13-eicosadienoyl-CoA" + - compartment: "c" + - formula: "C41H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03014m" + - name: "trans,cis-2,13-eicosadienoyl-CoA" + - compartment: "m" + - formula: "C41H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03014p" + - name: "trans,cis-2,13-eicosadienoyl-CoA" + - compartment: "p" + - formula: "C41H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03015c" + - name: "trans,cis-2,15-tetracosadienoyl-CoA" + - compartment: "c" + - formula: "C45H74N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03015p" + - name: "trans,cis-2,15-tetracosadienoyl-CoA" + - compartment: "p" + - formula: "C45H74N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03016c" + - name: "trans,cis-2,17-hexacosadienoyl-CoA" + - compartment: "c" + - formula: "C47H78N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03016p" + - name: "trans,cis-2,17-hexacosadienoyl-CoA" + - compartment: "p" + - formula: "C47H78N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03017c" + - name: "trans,cis-2,8,11-eicosatrienoyl-CoA" + - compartment: "c" + - formula: "C41H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03018c" + - name: "trans,cis-2,9-eicosadienoyl-CoA" + - compartment: "c" + - formula: "C41H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03019m" + - name: "trans,cis-hexadeca-2,7-dienoyl-CoA" + - compartment: "m" + - formula: "C37H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03019p" + - name: "trans,cis-hexadeca-2,7-dienoyl-CoA" + - compartment: "p" + - formula: "C37H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03020m" + - name: "trans,cis-hexadeca-2,9-dienoyl-CoA" + - compartment: "m" + - formula: "C37H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03020p" + - name: "trans,cis-hexadeca-2,9-dienoyl-CoA" + - compartment: "p" + - formula: "C37H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03021m" + - name: "trans,cis-lauro-2,6-dienoyl-CoA" + - compartment: "m" + - formula: "C33H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03021p" + - name: "trans,cis-lauro-2,6-dienoyl-CoA" + - compartment: "p" + - formula: "C33H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03022m" + - name: "trans,cis-myristo-2,5-dienoyl-CoA" + - compartment: "m" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03022p" + - name: "trans,cis-myristo-2,5-dienoyl-CoA" + - compartment: "p" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03023m" + - name: "trans,cis-myristo-2,7-dienoyl-CoA" + - compartment: "m" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03023p" + - name: "trans,cis-myristo-2,7-dienoyl-CoA" + - compartment: "p" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03024m" + - name: "trans,cis-octadeca-2,11-dienoyl-CoA" + - compartment: "m" + - formula: "C39H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03024p" + - name: "trans,cis-octadeca-2,11-dienoyl-CoA" + - compartment: "p" + - formula: "C39H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03025m" + - name: "trans,cis-octadeca-2,9-dienoyl-CoA" + - compartment: "m" + - formula: "C39H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03025p" + - name: "trans,cis-octadeca-2,9-dienoyl-CoA" + - compartment: "p" + - formula: "C39H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03026c" + - name: "trans,trans,cis-geranyl-geranyl-pp" + - compartment: "c" + - formula: "C20H33O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03027p" + - name: "trans-2,3-dehydropristanoyl-CoA" + - compartment: "p" + - formula: "C40H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03028p" + - name: "trans-2-all-cis-6,9,12,15,18-tetracosahexaenoyl-CoA" + - compartment: "p" + - formula: "C45H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03029c" + - name: "trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03029m" + - name: "trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03029p" + - name: "trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03030m" + - name: "trans-2-cis,cis-5,8-tetradecatrienoyl-CoA" + - compartment: "m" + - formula: "C35H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03030p" + - name: "trans-2-cis,cis-5,8-tetradecatrienoyl-CoA" + - compartment: "p" + - formula: "C35H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03031m" + - name: "trans-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA" + - compartment: "m" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03031p" + - name: "trans-2-methyl-5-isopropylhexa-2,5-dienoyl-CoA" + - compartment: "p" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03032c" + - name: "trans-3,4-dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene" + - compartment: "c" + - formula: "C20H18O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03033m" + - name: "trans-3-cis-5,8,11,14-eicosapentaenoyl-CoA" + - compartment: "m" + - formula: "C41H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03033p" + - name: "trans-3-cis-5,8,11,14-eicosapentaenoyl-CoA" + - compartment: "p" + - formula: "C41H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03034m" + - name: "trans-3-cis-8,11,14-eicosatetraenoyl-CoA" + - compartment: "m" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03034p" + - name: "trans-3-cis-8,11,14-eicosatetraenoyl-CoA" + - compartment: "p" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03035m" + - name: "trans-3-decenoyl-CoA" + - compartment: "m" + - formula: "C31H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03035p" + - name: "trans-3-decenoyl-CoA" + - compartment: "p" + - formula: "C31H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03036c" + - name: "trans-4,5-epoxy-(2E)-decenal" + - compartment: "c" + - formula: "C10H16O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03037c" + - name: "trans-4-hydroxy-L-proline" + - compartment: "c" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03037m" + - name: "trans-4-hydroxy-L-proline" + - compartment: "m" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03038c" + - name: "trans-5,6-dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene" + - compartment: "c" + - formula: "C20H18O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03039s" + - name: "trehalose" + - compartment: "s" + - formula: "C12H22O11" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03040c" + - name: "TRH" + - compartment: "c" + - formula: "C16H22N6O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03041c" + - name: "trichloroacetate" + - compartment: "c" + - formula: "C2Cl3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03042c" + - name: "trichloroethanol glucuronide" + - compartment: "c" + - formula: "C8H10Cl3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03043c" + - name: "trichloroethanol" + - compartment: "c" + - formula: "C2H3Cl3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03044c" + - name: "trichloroethene" + - compartment: "c" + - formula: "C2HCl3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03044s" + - name: "trichloroethene" + - compartment: "s" + - formula: "C2HCl3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03045c" + - name: "tricosanoic acid" + - compartment: "c" + - formula: "C23H45O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03045l" + - name: "tricosanoic acid" + - compartment: "l" + - formula: "C23H45O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03045r" + - name: "tricosanoic acid" + - compartment: "r" + - formula: "C23H45O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03045s" + - name: "tricosanoic acid" + - compartment: "s" + - formula: "C23H45O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03046c" + - name: "tricosanoylcarnitine" + - compartment: "c" + - formula: "C30H59NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03046r" + - name: "tricosanoylcarnitine" + - compartment: "r" + - formula: "C30H59NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03047c" + - name: "tricosanoyl-CoA" + - compartment: "c" + - formula: "C44H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03047p" + - name: "tricosanoyl-CoA" + - compartment: "p" + - formula: "C44H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03047r" + - name: "tricosanoyl-CoA" + - compartment: "r" + - formula: "C44H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03048c" + - name: "tridecanoyl-[ACP]" + - compartment: "c" + - formula: "C24H45N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03049c" + - name: "tridecanoylcarnitine" + - compartment: "c" + - formula: "C20H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03049m" + - name: "tridecanoylcarnitine" + - compartment: "m" + - formula: "C20H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03049r" + - name: "tridecanoylcarnitine" + - compartment: "r" + - formula: "C20H39NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03050c" + - name: "tridecanoyl-CoA" + - compartment: "c" + - formula: "C34H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03050m" + - name: "tridecanoyl-CoA" + - compartment: "m" + - formula: "C34H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03050r" + - name: "tridecanoyl-CoA" + - compartment: "r" + - formula: "C34H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03051c" + - name: "tridecylic acid" + - compartment: "c" + - formula: "C13H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03051l" + - name: "tridecylic acid" + - compartment: "l" + - formula: "C13H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03051r" + - name: "tridecylic acid" + - compartment: "r" + - formula: "C13H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03051s" + - name: "tridecylic acid" + - compartment: "s" + - formula: "C13H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03052c" + - name: "triiodothyronine" + - compartment: "c" + - formula: "C15H12I3NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03052r" + - name: "triiodothyronine" + - compartment: "r" + - formula: "C15H12I3NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03052s" + - name: "triiodothyronine" + - compartment: "s" + - formula: "C15H12I3NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03053c" + - name: "trimethylamine" + - compartment: "c" + - formula: "C3H10N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m03054c" + - name: "trimethylamine-N-oxide" + - compartment: "c" + - formula: "C3H9NO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03055c" + - name: "trioxilin A3" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03055p" + - name: "trioxilin A3" + - compartment: "p" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03055r" + - name: "trioxilin A3" + - compartment: "r" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03056c" + - name: "trioxilin B3" + - compartment: "c" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03057c" + - name: "triphosphate" + - compartment: "c" + - formula: "HO10P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03057m" + - name: "triphosphate" + - compartment: "m" + - formula: "HO10P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03057n" + - name: "triphosphate" + - compartment: "n" + - formula: "HO10P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03058c" + - name: "tRNA containing 5-aminomethyl-2-thiouridine" + - compartment: "c" + - formula: "C5H6N3OSR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03059c" + - name: "tRNA containing 5-methylaminomethyl-2-thiouridylate" + - compartment: "c" + - formula: "C6H8N3OSR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03060c" + - name: "tRNA containing 6-isopentenyladenosine" + - compartment: "c" + - formula: "C5H9R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03061c" + - name: "tRNA containing N2-methylguanine" + - compartment: "c" + - formula: "C6H6N5OR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03062c" + - name: "tRNA containing N7-methylguanine" + - compartment: "c" + - formula: "C6H7N5OR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m03063c" + - name: "tRNA(ala)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03064c" + - name: "tRNA(arg)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03065c" + - name: "tRNA(asn)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03066c" + - name: "tRNA(asp)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03067c" + - name: "tRNA(cys)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03068c" + - name: "tRNA(gln)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03069c" + - name: "tRNA(glu)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03070c" + - name: "tRNA(gly)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03071c" + - name: "tRNA(his)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03072c" + - name: "tRNA(ile)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03073c" + - name: "tRNA(leu)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03074c" + - name: "tRNA(lys)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03075c" + - name: "tRNA(met)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03076c" + - name: "tRNA(phe)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03077c" + - name: "tRNA(pro)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03078c" + - name: "tRNA(ser)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03079c" + - name: "tRNA(thr)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03080c" + - name: "tRNA(trp)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03081c" + - name: "tRNA(tyr)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03082c" + - name: "tRNA(val)" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03083c" + - name: "tRNA" + - compartment: "c" + - formula: "RH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03084c" + - name: "tRNA-guanine" + - compartment: "c" + - formula: "C5H4N5OR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03085c" + - name: "tRNA-pseudouridine" + - compartment: "c" + - formula: "C9H10N2O6R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03086c" + - name: "tRNA-queuine" + - compartment: "c" + - formula: "C12H14N5O3R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03087c" + - name: "tRNA-uridine" + - compartment: "c" + - formula: "C9H10N2O6R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03088c" + - name: "tryptamine" + - compartment: "c" + - formula: "C10H13N2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m03089c" + - name: "tryptophan" + - compartment: "c" + - formula: "C11H12N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03089l" + - name: "tryptophan" + - compartment: "l" + - formula: "C11H12N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03089s" + - name: "tryptophan" + - compartment: "s" + - formula: "C11H12N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03090c" + - name: "type I A glycolipid" + - compartment: "c" + - formula: "C58H102N3O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03090g" + - name: "type I A glycolipid" + - compartment: "g" + - formula: "C58H102N3O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03091c" + - name: "type I B glycolipid" + - compartment: "c" + - formula: "C56H99N2O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03091g" + - name: "type I B glycolipid" + - compartment: "g" + - formula: "C56H99N2O31RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03092g" + - name: "type I H glycolipid" + - compartment: "g" + - formula: "C50H89N2O26RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03093c" + - name: "type II A antigen" + - compartment: "c" + - formula: "C59H102N3O32R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03095g" + - name: "type II H glycolipid" + - compartment: "g" + - formula: "C50H89N2O26RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03096c" + - name: "type III A glycolipid" + - compartment: "c" + - formula: "C78H135N4O45RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03096g" + - name: "type III A glycolipid" + - compartment: "g" + - formula: "C78H135N4O45RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03096s" + - name: "type III A glycolipid" + - compartment: "s" + - formula: "C78H135N4O45RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03098c" + - name: "type IIIAb" + - compartment: "c" + - formula: "C92H158N5O55RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03098g" + - name: "type IIIAb" + - compartment: "g" + - formula: "C92H158N5O55RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03098s" + - name: "type IIIAb" + - compartment: "s" + - formula: "C92H158N5O55RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03099c" + - name: "tyramine" + - compartment: "c" + - formula: "C8H12NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m03100c" + - name: "tyramine-O-sulfate" + - compartment: "c" + - formula: "C8H11NO4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03100s" + - name: "tyramine-O-sulfate" + - compartment: "s" + - formula: "C8H11NO4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03101c" + - name: "tyrosine" + - compartment: "c" + - formula: "C9H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03101l" + - name: "tyrosine" + - compartment: "l" + - formula: "C9H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03101m" + - name: "tyrosine" + - compartment: "m" + - formula: "C9H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03101s" + - name: "tyrosine" + - compartment: "s" + - formula: "C9H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03102m" + - name: "ubiquinol" + - compartment: "m" + - formula: "C59H92O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03103m" + - name: "ubiquinone" + - compartment: "m" + - formula: "C59H90O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03104c" + - name: "ubiquitin C terminal thiolester" + - compartment: "c" + - formula: "RCOSR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03105c" + - name: "ubiquitin" + - compartment: "c" + - formula: "RCO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03106c" + - name: "UDP" + - compartment: "c" + - formula: "C9H11N2O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03106g" + - name: "UDP" + - compartment: "g" + - formula: "C9H11N2O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03106l" + - name: "UDP" + - compartment: "l" + - formula: "C9H11N2O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03106m" + - name: "UDP" + - compartment: "m" + - formula: "C9H11N2O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03106n" + - name: "UDP" + - compartment: "n" + - formula: "C9H11N2O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03106r" + - name: "UDP" + - compartment: "r" + - formula: "C9H11N2O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03106s" + - name: "UDP" + - compartment: "s" + - formula: "C9H11N2O12P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03107c" + - name: "UDP-galactose" + - compartment: "c" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03107g" + - name: "UDP-galactose" + - compartment: "g" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03107r" + - name: "UDP-galactose" + - compartment: "r" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03108c" + - name: "UDP-glucose" + - compartment: "c" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03108g" + - name: "UDP-glucose" + - compartment: "g" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03108r" + - name: "UDP-glucose" + - compartment: "r" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03109c" + - name: "UDP-glucuronate" + - compartment: "c" + - formula: "C15H19N2O18P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03109g" + - name: "UDP-glucuronate" + - compartment: "g" + - formula: "C15H19N2O18P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03109r" + - name: "UDP-glucuronate" + - compartment: "r" + - formula: "C15H19N2O18P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03110c" + - name: "UDP-N-acetyl-D-galactosamine" + - compartment: "c" + - formula: "C17H25N3O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03110g" + - name: "UDP-N-acetyl-D-galactosamine" + - compartment: "g" + - formula: "C17H25N3O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03110l" + - name: "UDP-N-acetyl-D-galactosamine" + - compartment: "l" + - formula: "C17H25N3O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03110r" + - name: "UDP-N-acetyl-D-galactosamine" + - compartment: "r" + - formula: "C17H25N3O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03111c" + - name: "UDP-N-acetylglucosamine" + - compartment: "c" + - formula: "C17H25N3O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03111g" + - name: "UDP-N-acetylglucosamine" + - compartment: "g" + - formula: "C17H25N3O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03111r" + - name: "UDP-N-acetylglucosamine" + - compartment: "r" + - formula: "C17H25N3O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03112c" + - name: "UDP-xylose" + - compartment: "c" + - formula: "C14H20N2O16P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03112g" + - name: "UDP-xylose" + - compartment: "g" + - formula: "C14H20N2O16P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03112r" + - name: "UDP-xylose" + - compartment: "r" + - formula: "C14H20N2O16P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03113c" + - name: "umbelliferone" + - compartment: "c" + - formula: "C9H6O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03113s" + - name: "umbelliferone" + - compartment: "s" + - formula: "C9H6O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03114c" + - name: "UMP" + - compartment: "c" + - formula: "C9H11N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03114g" + - name: "UMP" + - compartment: "g" + - formula: "C9H11N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03114l" + - name: "UMP" + - compartment: "l" + - formula: "C9H11N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03114m" + - name: "UMP" + - compartment: "m" + - formula: "C9H11N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03114n" + - name: "UMP" + - compartment: "n" + - formula: "C9H11N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03114r" + - name: "UMP" + - compartment: "r" + - formula: "C9H11N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03114s" + - name: "UMP" + - compartment: "s" + - formula: "C9H11N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03115c" + - name: "undecanoyl-[ACP]" + - compartment: "c" + - formula: "C22H41N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03116c" + - name: "undecanoyl-CoA" + - compartment: "c" + - formula: "C32H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03116m" + - name: "undecanoyl-CoA" + - compartment: "m" + - formula: "C32H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03117c" + - name: "undecylic acid" + - compartment: "c" + - formula: "C11H21O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03117s" + - name: "undecylic acid" + - compartment: "s" + - formula: "C11H21O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03118c" + - name: "uracil" + - compartment: "c" + - formula: "C4H4N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03118s" + - name: "uracil" + - compartment: "s" + - formula: "C4H4N2O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03119c" + - name: "urate radical" + - compartment: "c" + - formula: "C5H3N4O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03120c" + - name: "urate" + - compartment: "c" + - formula: "C5H4N4O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03120p" + - name: "urate" + - compartment: "p" + - formula: "C5H4N4O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03120s" + - name: "urate" + - compartment: "s" + - formula: "C5H4N4O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03121c" + - name: "urea" + - compartment: "c" + - formula: "CH4N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03121m" + - name: "urea" + - compartment: "m" + - formula: "CH4N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03121s" + - name: "urea" + - compartment: "s" + - formula: "CH4N2O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03122c" + - name: "ureidoglycolate" + - compartment: "c" + - formula: "C3H5N2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03123c" + - name: "uridine" + - compartment: "c" + - formula: "C9H12N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03123l" + - name: "uridine" + - compartment: "l" + - formula: "C9H12N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03123m" + - name: "uridine" + - compartment: "m" + - formula: "C9H12N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03123n" + - name: "uridine" + - compartment: "n" + - formula: "C9H12N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03123s" + - name: "uridine" + - compartment: "s" + - formula: "C9H12N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03124c" + - name: "urocanate" + - compartment: "c" + - formula: "C6H5N2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03125c" + - name: "uroporphyrin I" + - compartment: "c" + - formula: "C40H30N4O16" + - charge: -8 + - inchis: "" + - !!omap + - id: "m03126c" + - name: "uroporphyrin III" + - compartment: "c" + - formula: "C40H30N4O16" + - charge: -8 + - inchis: "" + - !!omap + - id: "m03127c" + - name: "uroporphyrinogen I" + - compartment: "c" + - formula: "C40H36N4O16" + - charge: -8 + - inchis: "" + - !!omap + - id: "m03128c" + - name: "uroporphyrinogen III" + - compartment: "c" + - formula: "C40H36N4O16" + - charge: -8 + - inchis: "" + - !!omap + - id: "m03129c" + - name: "ursodeoxycholate" + - compartment: "c" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03129s" + - name: "ursodeoxycholate" + - compartment: "s" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03130c" + - name: "UTP" + - compartment: "c" + - formula: "C9H11N2O15P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03130m" + - name: "UTP" + - compartment: "m" + - formula: "C9H11N2O15P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03130n" + - name: "UTP" + - compartment: "n" + - formula: "C9H11N2O15P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03130s" + - name: "UTP" + - compartment: "s" + - formula: "C9H11N2O15P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03131c" + - name: "V3(NeuAc)2-Gb5Cer" + - compartment: "c" + - formula: "C70H119N4O41R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03131s" + - name: "V3(NeuAc)2-Gb5Cer" + - compartment: "s" + - formula: "C70H119N4O41R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03132c" + - name: "V3Fuc,III3Fuc-nLc6Cer" + - compartment: "c" + - formula: "C71H122N3O41R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03133c" + - name: "V3Fuc-nLc6Cer" + - compartment: "c" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03133g" + - name: "V3Fuc-nLc6Cer" + - compartment: "g" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03134c" + - name: "valeric acid" + - compartment: "c" + - formula: "C5H9O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03134s" + - name: "valeric acid" + - compartment: "s" + - formula: "C5H9O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03135c" + - name: "valine" + - compartment: "c" + - formula: "C5H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03135l" + - name: "valine" + - compartment: "l" + - formula: "C5H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03135m" + - name: "valine" + - compartment: "m" + - formula: "C5H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03135s" + - name: "valine" + - compartment: "s" + - formula: "C5H11NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03136c" + - name: "vanillylmandelate" + - compartment: "c" + - formula: "C9H9O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03137c" + - name: "VI2Fuc-nLc6" + - compartment: "c" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03137g" + - name: "VI2Fuc-nLc6" + - compartment: "g" + - formula: "C64H112N3O36RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03138c" + - name: "VI3NeuAc-nLc6Cer" + - compartment: "c" + - formula: "C69H118N4O40RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03138g" + - name: "VI3NeuAc-nLc6Cer" + - compartment: "g" + - formula: "C69H118N4O40RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03138s" + - name: "VI3NeuAc-nLc6Cer" + - compartment: "s" + - formula: "C69H118N4O40RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03141c" + - name: "vitamin D2" + - compartment: "c" + - formula: "C28H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03141m" + - name: "vitamin D2" + - compartment: "m" + - formula: "C28H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03141s" + - name: "vitamin D2" + - compartment: "s" + - formula: "C28H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03142c" + - name: "vitamin D3" + - compartment: "c" + - formula: "C27H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03142m" + - name: "vitamin D3" + - compartment: "m" + - formula: "C27H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03142s" + - name: "vitamin D3" + - compartment: "s" + - formula: "C27H44O" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03144c" + - name: "vitamin K epoxide" + - compartment: "c" + - formula: "C11H7O3R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03145c" + - name: "vitamin K" + - compartment: "c" + - formula: "C11H7O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03146l" + - name: "VLDL remnant" + - compartment: "l" + - formula: "C136286H232084N13476O38613P3271S174R7267" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03146s" + - name: "VLDL remnant" + - compartment: "s" + - formula: "C136286H232084N13476O38613P3271S174R7267" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03147r" + - name: "VLDL" + - compartment: "r" + - formula: "C198596H284009N13476O100923P3271S174R38422" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03147s" + - name: "VLDL" + - compartment: "s" + - formula: "C198596H284009N13476O100923P3271S174R38422" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03148c" + - name: "xanthine" + - compartment: "c" + - formula: "C5H4N4O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03148p" + - name: "xanthine" + - compartment: "p" + - formula: "C5H4N4O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03149c" + - name: "xanthosine" + - compartment: "c" + - formula: "C10H12N4O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03150c" + - name: "xanthosine-5-phosphate" + - compartment: "c" + - formula: "C10H11N4O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03151c" + - name: "xanthurenate" + - compartment: "c" + - formula: "C10H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03151s" + - name: "xanthurenate" + - compartment: "s" + - formula: "C10H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03152c" + - name: "xanthurenate-8-O-beta-D-glucoside" + - compartment: "c" + - formula: "C16H16NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03153c" + - name: "ximenic acid" + - compartment: "c" + - formula: "C26H49O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03153l" + - name: "ximenic acid" + - compartment: "l" + - formula: "C26H49O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03153r" + - name: "ximenic acid" + - compartment: "r" + - formula: "C26H49O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03153s" + - name: "ximenic acid" + - compartment: "s" + - formula: "C26H49O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03154c" + - name: "XTP" + - compartment: "c" + - formula: "C10H11N4O15P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03154s" + - name: "XTP" + - compartment: "s" + - formula: "C10H11N4O15P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03155c" + - name: "xylitol" + - compartment: "c" + - formula: "C5H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03155s" + - name: "xylitol" + - compartment: "s" + - formula: "C5H12O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03156g" + - name: "Xyl-L-Ser-[protein]" + - compartment: "g" + - formula: "C5H9O4X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03156r" + - name: "Xyl-L-Ser-[protein]" + - compartment: "r" + - formula: "C5H9O4X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03157c" + - name: "zinc" + - compartment: "c" + - formula: "Zn" + - charge: 2 + - inchis: "" + - !!omap + - id: "m03157g" + - name: "zinc" + - compartment: "g" + - formula: "Zn" + - charge: 2 + - inchis: "" + - !!omap + - id: "m03157r" + - name: "zinc" + - compartment: "r" + - formula: "Zn" + - charge: 2 + - inchis: "" + - !!omap + - id: "m03157s" + - name: "zinc" + - compartment: "s" + - formula: "Zn" + - charge: 2 + - inchis: "" + - !!omap + - id: "m03161c" + - name: "glycogen" + - compartment: "c" + - formula: "C6H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03161s" + - name: "glycogen" + - compartment: "s" + - formula: "C6H10O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03162c" + - name: "5,6-dihydroxyindole" + - compartment: "c" + - formula: "C8H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03163c" + - name: "indole-5,6-quinone" + - compartment: "c" + - formula: "C8H5NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03164c" + - name: "D-alanyl-D-alanine" + - compartment: "c" + - formula: "C6H12N2O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03165c" + - name: "sedoheptulose" + - compartment: "c" + - formula: "C7H14O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03166c" + - name: "sedoheptulose-1-phosphate" + - compartment: "c" + - formula: "C7H13O10P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03167c" + - name: "5-Phosphonooxy-L-lysine" + - compartment: "c" + - formula: "C6H14N2O6P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03168m" + - name: "3-oxopropionyl-CoA" + - compartment: "m" + - formula: "C24H34N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03169c" + - name: "insulin-(SS)" + - compartment: "c" + - formula: "C256H379N65O77S6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03170c" + - name: "Insulin-(SH)2" + - compartment: "c" + - formula: "C256H381N65O77S6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01602c" + - name: "cofactors and vitamins" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03139c" + - name: "vitamin A derivatives" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03140c" + - name: "vitamin D derivatives" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03143c" + - name: "vitamin E derivatives" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01004m" + - name: "4-hydroxyphenyllactate" + - compartment: "m" + - formula: "C9H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibutcoa_m" + - name: "(S)-3-Hydroxyisobutyryl Coenzyme A" + - compartment: "m" + - formula: "C25H38N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00799c" + - name: "3-hydroxypropionyl-CoA" + - compartment: "c" + - formula: "C24H36N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02142c" + - name: "hydracrylate" + - compartment: "c" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00900c" + - name: "3-oxopropanoate" + - compartment: "c" + - formula: "C3H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3amp_l" + - name: "3-Adenosine Monophosphate" + - compartment: "l" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00982m" + - name: "4-coumaroyl-CoA" + - compartment: "m" + - formula: "C30H38N7O18P3S1" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00996m" + - name: "4-hydroxybenzoyl-CoA" + - compartment: "m" + - formula: "C28H36N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02182r" + - name: "isocaproic-aldehyde" + - compartment: "r" + - formula: "C6H12O" + - charge: 0 + - inchis: "1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3" + - !!omap + - id: "m01102m" + - name: "5-hydroxyindoleacetaldehyde" + - compartment: "m" + - formula: "C10H9NO2" + - charge: 0 + - inchis: "1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2" + - !!omap + - id: "m01103m" + - name: "5-hydroxyindoleacetate" + - compartment: "m" + - formula: "C10H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02805r" + - name: "provitamin D3" + - compartment: "r" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "galgluside_hs_c" + - name: "Galactosyl Glucosyl Ceramide" + - compartment: "c" + - formula: "C30H56NO12RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "galgluside_hs_g" + - name: "Galactosyl Glucosyl Ceramide" + - compartment: "g" + - formula: "C30H56NO12RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01253p" + - name: "acetoacetate" + - compartment: "p" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01288m" + - name: "ADP-ribose" + - compartment: "m" + - formula: "C15H21N5O14P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02845m" + - name: "ribose-5-phosphate" + - compartment: "m" + - formula: "C5H9O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00119p" + - name: "(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA" + - compartment: "p" + - formula: "C43H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "alpa_hs_c" + - name: "Lysophosphatidic Acid" + - compartment: "c" + - formula: "C3H6O5PRCO2" + - charge: -2 + - inchis: "" + - !!omap + - id: "alkylR1oh_p" + - name: "Hydroxy Alkyl Chain" + - compartment: "p" + - formula: "HOR" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00564c" + - name: "2(S)-pristanal" + - compartment: "c" + - formula: "C19H38O" + - charge: 0 + - inchis: "1/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3" + - !!omap + - id: "m02766c" + - name: "pristanic acid" + - compartment: "c" + - formula: "C19H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01984c" + - name: "glycerone" + - compartment: "c" + - formula: "C3H6O3" + - charge: 0 + - inchis: "1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2" + - !!omap + - id: "m00755r" + - name: "3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA" + - compartment: "r" + - formula: "C48H74N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00618r" + - name: "25(S)THCA-CoA" + - compartment: "r" + - formula: "C48H76N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01992s" + - name: "glycogenin G4G7" + - compartment: "s" + - formula: "C1845H2835N455O583S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "glygn4_s" + - name: "Glycogen, Structure 4 (Glycogenin-1,6-{2[1,4-Glc], [1,4-Glc]})" + - compartment: "s" + - formula: "C1797H2755N455O543S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00185m" + - name: "[apocarboxlase]" + - compartment: "m" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01356m" + - name: "apoC-lys" + - compartment: "m" + - formula: "C6H13N2OX" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01357m" + - name: "apoC-lys_btn" + - compartment: "m" + - formula: "C16H27N4O3SX" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01400m" + - name: "biocytin" + - compartment: "m" + - formula: "C16H28N4O4S" + - charge: 0 + - inchis: "1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1" + - !!omap + - id: "octd11ecoa_c" + - name: "11-Octadecenoyl Coenzyme A" + - compartment: "c" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00051c" + - name: "(2E)-hexadecenoyl-CoA" + - compartment: "c" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "gm1_hs_g" + - name: "Ganglioside Gm1" + - compartment: "g" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "galacglcgalacglcgal14acglcgalgluside_hs_g" + - name: "I-Antigen" + - compartment: "g" + - formula: "C72H125N4O42RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01988p" + - name: "glycocholate" + - compartment: "p" + - formula: "C26H43NO6" + - charge: 0 + - inchis: "1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1" + - !!omap + - id: "dgcholcoa_p" + - name: "Chenodeoxyglycocholoyl Coenzyme A" + - compartment: "p" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01987p" + - name: "glycochenodeoxycholate" + - compartment: "p" + - formula: "C26H43NO5" + - charge: 0 + - inchis: "1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1" + - !!omap + - id: "m01401m" + - name: "biotin" + - compartment: "m" + - formula: "C10H15N2O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01402m" + - name: "biotinyl-5-AMP" + - compartment: "m" + - formula: "C20H27N7O9PS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00760m" + - name: "3-amino-propanal" + - compartment: "m" + - formula: "C3H8NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01410m" + - name: "butyrate" + - compartment: "m" + - formula: "C4H7O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "bvite_s" + - name: "Beta-Tocopherol" + - compartment: "s" + - formula: "C28H48O2" + - charge: 0 + - inchis: "1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1" + - !!omap + - id: "bvite_c" + - name: "Beta-Tocopherol" + - compartment: "c" + - formula: "C28H48O2" + - charge: 0 + - inchis: "1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1" + - !!omap + - id: "m01380s" + - name: "benzoate" + - compartment: "s" + - formula: "C7H5O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00941r" + - name: "4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol" + - compartment: "r" + - formula: "C29H46O" + - charge: 0 + - inchis: "1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1" + - !!omap + - id: "m00367r" + - name: "14-demethyllanosterol" + - compartment: "r" + - formula: "C29H48O" + - charge: 0 + - inchis: "1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1" + - !!omap + - id: "m00953r" + - name: "4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol" + - compartment: "r" + - formula: "C29H46O3" + - charge: 0 + - inchis: "1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24-,25+,27-,28-,29+/m1/s1" + - !!omap + - id: "zym_int2_r" + - name: "Zymosterol Intermediate 2" + - compartment: "r" + - formula: "C27H42O" + - charge: 0 + - inchis: "1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20+,23-,24+,26+,27-/s2" + - !!omap + - id: "m03158r" + - name: "zymosterol" + - compartment: "r" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1" + - !!omap + - id: "m02579r" + - name: "NH4+" + - compartment: "r" + - formula: "H4N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01427m" + - name: "CDP-diacylglycerol-LD-PI pool" + - compartment: "m" + - formula: "C14H17N3O15P2R2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02733m" + - name: "phosphatidate-LD-TAG pool" + - compartment: "m" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00121p" + - name: "(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA" + - compartment: "p" + - formula: "C43H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02715c" + - name: "PG-CL pool" + - compartment: "c" + - formula: "C8H12O10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01596n" + - name: "CO2" + - compartment: "n" + - formula: "CO2" + - charge: 0 + - inchis: "1S/CO2/c2-1-3" + - !!omap + - id: "2dpmhobq_m" + - name: "2-Decaprenyl-5-Hydroxy-6-Methoxy-3-Methyl-1,4-Benzoquinone" + - compartment: "m" + - formula: "C58H88O4" + - charge: 0 + - inchis: "1S/C58H88O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+" + - !!omap + - id: "2dp6mobq_m" + - name: "2-Decaprenyl-6-Methoxy-1,4-Benzoquinone" + - compartment: "m" + - formula: "C57H86O3" + - charge: 0 + - inchis: "1S/C57H86O3/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58)43-56(60-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+" + - !!omap + - id: "2dp6mobq_me_m" + - name: "2-Decaprenyl-6-Methoxy-3-Methyl-1,4-Benzoquinone" + - compartment: "m" + - formula: "C58H88O3" + - charge: 0 + - inchis: "1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+" + - !!omap + - id: "m00981m" + - name: "4-coumarate" + - compartment: "m" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01431s" + - name: "ceramide-1P pool" + - compartment: "s" + - formula: "C18H35NO5PRCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00950p" + - name: "4,8-dimethylnonanoylcarnitine" + - compartment: "p" + - formula: "C18H35NO4" + - charge: 0 + - inchis: "1S/C18H35NO4/c1-14(2)8-7-9-15(3)10-11-18(22)23-16(12-17(20)21)13-19(4,5)6/h14-16H,7-13H2,1-6H3/t15?,16-/m1/s1" + - !!omap + - id: "dmnoncoa_p" + - name: "4,8-Dimethylnonanoyl Coenzyme A" + - compartment: "p" + - formula: "C32H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02579n" + - name: "NH4+" + - compartment: "n" + - formula: "H4N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00240r" + - name: "1,2-diacylglycerol-LD-TAG pool" + - compartment: "r" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02733n" + - name: "phosphatidate-LD-TAG pool" + - compartment: "n" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00240s" + - name: "1,2-diacylglycerol-LD-TAG pool" + - compartment: "s" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02579p" + - name: "NH4+" + - compartment: "p" + - formula: "H4N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02959c" + - name: "TAG-VLDL pool" + - compartment: "c" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02343r" + - name: "lathosterol" + - compartment: "r" + - formula: "C27H46O" + - charge: 0 + - inchis: "1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m01675r" + - name: "desmosterol" + - compartment: "r" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m00348n" + - name: "13-cis-oxo-retinoate" + - compartment: "n" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00350n" + - name: "13-cis-retinoate" + - compartment: "n" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01006n" + - name: "4-hydroxyretinoic acid" + - compartment: "n" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01026n" + - name: "4-oxo-13-cis-retinoate" + - compartment: "n" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "Ser_Thr_l" + - name: "Protein-Linked Serine Or Threonine Residue (O-Glycosylation Site)" + - compartment: "l" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01706p" + - name: "dimethylallyl-PP" + - compartment: "p" + - formula: "C5H9O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01953p" + - name: "geranyl-PP" + - compartment: "p" + - formula: "C10H17O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "dmhptcoa_m" + - name: "2,6-Dimethylheptanoyl Coenzyme A" + - compartment: "m" + - formula: "C30H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "dmnoncoa_c" + - name: "4,8-Dimethylnonanoyl Coenzyme A" + - compartment: "c" + - formula: "C32H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "dmnoncoa_m" + - name: "4,8-Dimethylnonanoyl Coenzyme A" + - compartment: "m" + - formula: "C32H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01731c" + - name: "dolichyl-D-glucosyl-phosphate" + - compartment: "c" + - formula: "C106H174O9P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00164p" + - name: "(R)-5-diphosphomevalonate" + - compartment: "p" + - formula: "C6H10O10P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01742p" + - name: "D-proline" + - compartment: "p" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1" + - !!omap + - id: "m00558p" + - name: "1-pyrroline-2-carboxylate" + - compartment: "p" + - formula: "C5H6NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "pecgon_r" + - name: "Pseudoecgonine" + - compartment: "r" + - formula: "C9H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01651c" + - name: "de-Fuc form of PA6 (wo peptide linkage)" + - compartment: "c" + - formula: "C84H136N6O62" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01653c" + - name: "de-Fuc, GlcNAc removed PA6 (wo peptide linkage)" + - compartment: "c" + - formula: "C76H123N5O57" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02511c" + - name: "n2m2nmn" + - compartment: "c" + - formula: "C50H84N4O36" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02509c" + - name: "n2m2nm" + - compartment: "c" + - formula: "C58H97N5O41" + - charge: 0 + - inchis: "" + - !!omap + - id: "glc1man_g" + - name: "Glucose-1,3-Mannose Oligosaccharide" + - compartment: "g" + - formula: "C12H22O11" + - charge: 0 + - inchis: "1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9+,10+,11-,12-/m1/s1" + - !!omap + - id: "glc2man_g" + - name: "(2)[Glucose-1,3]-Mannose Oligosaccharide" + - compartment: "g" + - formula: "C18H32O16" + - charge: 0 + - inchis: "" + - !!omap + - id: "glc3man_g" + - name: "Glucose-1,2-(2)[Glucose-1,3]-Mannose Oligosaccharide" + - compartment: "g" + - formula: "C24H42O21" + - charge: 0 + - inchis: "" + - !!omap + - id: "etfox_m" + - name: "Electron Transfer Flavoprotein Oxidized" + - compartment: "m" + - formula: "R" + - charge: 0 + - inchis: "" + - !!omap + - id: "etfrd_m" + - name: "Electron Transfer Flavoprotein Reduced" + - compartment: "m" + - formula: "RH2" + - charge: 0 + - inchis: "" + - !!omap + - id: "1glyc_hs_s" + - name: "1-Acyl Phosphoglycerol" + - compartment: "s" + - formula: "C6H13O7PRCO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "9_cis_retfa_s" + - name: "Fatty Acid 9-Cis-Retinol" + - compartment: "s" + - formula: "C21H29O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "fucfuc12gal14acglcgalgluside_hs_s" + - name: "Ley Glycolipid" + - compartment: "s" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "fucfucgalacglcgalgluside_hs_s" + - name: "Leb Glycolipid" + - compartment: "s" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "glyc_S_s" + - name: "(S)-Glycerate" + - compartment: "s" + - formula: "C3H5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "glygn5_s" + - name: "Glycogen, Structure 5 (Glycogenin-2[1,4-Glc])" + - compartment: "s" + - formula: "C1791H2745N455O538S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00656s" + - name: "2-lysolecithin pool" + - compartment: "s" + - formula: "C8H19NO5PRCO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02715s" + - name: "PG-CL pool" + - compartment: "s" + - formula: "C8H12O10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "phyt_s" + - name: "Phytanate" + - compartment: "s" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02808s" + - name: "PS-LD pool" + - compartment: "s" + - formula: "C8H11NO10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01232s" + - name: "9-cis-retinol" + - compartment: "s" + - formula: "C20H30O" + - charge: 0 + - inchis: "1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+" + - !!omap + - id: "m00291s" + - name: "11-cis-retinol" + - compartment: "s" + - formula: "C20H30O" + - charge: 0 + - inchis: "1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8-,17-13+" + - !!omap + - id: "xolest_hs_s" + - name: "Cholesterol Ester" + - compartment: "s" + - formula: "C27H45XCO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01446s" + - name: "cholest-5-ene-3beta,7alpha,24(S)-triol" + - compartment: "s" + - formula: "C27H46O3" + - charge: 0 + - inchis: "1/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,23+,24-,25+,26+,27-/s2" + - !!omap + - id: "m01447s" + - name: "cholest-5-ene-3beta,7alpha,25-triol" + - compartment: "s" + - formula: "C27H46O3" + - charge: 0 + - inchis: "1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1" + - !!omap + - id: "m01448s" + - name: "cholest-5-ene-3beta,7alpha,27-triol" + - compartment: "s" + - formula: "C27H46O3" + - charge: 0 + - inchis: "1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1" + - !!omap + - id: "lnlcACP_c" + - name: "Linoleic Acid ACP (All Cis)" + - compartment: "c" + - formula: "C29H51N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "lneldcACP_c" + - name: "Linoelaidic Acid ACP (All Trans)" + - compartment: "c" + - formula: "C29H51N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "pristcoa_c" + - name: "Pristanoyl Coenzyme A" + - compartment: "c" + - formula: "C40H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "phyt_c" + - name: "Phytanate" + - compartment: "c" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "octd11ecoa_m" + - name: "11-Octadecenoyl Coenzyme A" + - compartment: "m" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00108p" + - name: "(6Z,9Z,12Z,15Z)-octadecatetraenoyl-CoA" + - compartment: "p" + - formula: "C39H58N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00103p" + - name: "(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl-CoA" + - compartment: "p" + - formula: "C41H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "tag1p_D_c" + - name: "D-Tagatose 1-Phosphate" + - compartment: "c" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01806p" + - name: "farnesyl-PP" + - compartment: "p" + - formula: "C15H25O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01806r" + - name: "farnesyl-PP" + - compartment: "r" + - formula: "C15H25O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "fucfuc12gal14acglcgalgluside_hs_c" + - name: "Ley Glycolipid" + - compartment: "c" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "fucfuc12gal14acglcgalgluside_hs_g" + - name: "Ley Glycolipid" + - compartment: "g" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "fucfucgalacglcgalgluside_hs_c" + - name: "Leb Glycolipid" + - compartment: "c" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "fucfucgalacglcgalgluside_hs_g" + - name: "Leb Glycolipid" + - compartment: "g" + - formula: "C56H99N2O30RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "galgluside_hs_l" + - name: "Galactosyl Glucosyl Ceramide" + - compartment: "l" + - formula: "C30H56NO12RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "Ser_Thr_g" + - name: "Protein-Linked Serine Or Threonine Residue (O-Glycosylation Site)" + - compartment: "g" + - formula: "XH" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00789m" + - name: "3-hydroxy-N6,N6,N6-trimethyl-L-lysine" + - compartment: "m" + - formula: "C9H20N2O3" + - charge: 0 + - inchis: "1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/t7?,8-/m0/s1" + - !!omap + - id: "m01034m" + - name: "4-trimethylammoniobutanal" + - compartment: "m" + - formula: "C7H16NO" + - charge: 1 + - inchis: "1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1" + - !!omap + - id: "m01685m" + - name: "D-glucurono-6,3-lactone" + - compartment: "m" + - formula: "C6H8O6" + - charge: 0 + - inchis: "1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1" + - !!omap + - id: "m01681m" + - name: "D-glucarate" + - compartment: "m" + - formula: "C6H8O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "glyc_S_c" + - name: "(S)-Glycerate" + - compartment: "c" + - formula: "C3H5O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m_em_3gacpail_r" + - name: "Mannosyl-3-(Phosphoethanolaminyl-Mannosyl)-Glucosaminyl-Acylphosphatidylinositol (M4A)" + - compartment: "r" + - formula: "C63H116N4O47P4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02110m" + - name: "hexacosanoyl-CoA" + - compartment: "m" + - formula: "C47H82N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02109m" + - name: "hexacosanoylcarnitine" + - compartment: "m" + - formula: "C33H65NO4" + - charge: 0 + - inchis: "1/C33H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h31H,5-30H2,1-4H3" + - !!omap + - id: "m02131r" + - name: "HMG-CoA" + - compartment: "r" + - formula: "C27H39N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00167r" + - name: "(R)-mevalonate" + - compartment: "r" + - formula: "C6H11O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02159l" + - name: "hypoxanthine" + - compartment: "l" + - formula: "C5H4N4O" + - charge: 0 + - inchis: "1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)" + - !!omap + - id: "m02170l" + - name: "inosine" + - compartment: "l" + - formula: "C10H12N4O5" + - charge: 0 + - inchis: "1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1" + - !!omap + - id: "m02187r" + - name: "isopentenyl-pPP" + - compartment: "r" + - formula: "C5H9O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01715m" + - name: "D-lactaldehyde" + - compartment: "m" + - formula: "C3H6O2" + - charge: 0 + - inchis: "1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1" + - !!omap + - id: "m02971m" + - name: "tetracosanoyl-CoA" + - compartment: "m" + - formula: "C45H78N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02970m" + - name: "tetracosanoylcarnitine" + - compartment: "m" + - formula: "C31H61NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "lnlncacrn_c" + - name: "Alpha-Linolenyl Carnitine" + - compartment: "c" + - formula: "C25H43NO4" + - charge: 0 + - inchis: "1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/m0/s1" + - !!omap + - id: "lnlncacrn_m" + - name: "Alpha-Linolenyl Carnitine" + - compartment: "m" + - formula: "C25H43NO4" + - charge: 0 + - inchis: "1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/m0/s1" + - !!omap + - id: "m02336r" + - name: "lanosterol" + - compartment: "r" + - formula: "C30H50O" + - charge: 0 + - inchis: "1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1" + - !!omap + - id: "9_cis_retfa_c" + - name: "Fatty Acid 9-Cis-Retinol" + - compartment: "c" + - formula: "C21H29O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m_em_3gacpail_hs_r" + - name: "Mannosyl-3-(Phosphoethanolaminyl-Mannosyl)-Glucosaminyl-Acylphosphatidylinositol (M4A))" + - compartment: "r" + - formula: "C63H116N4O47P4R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m_em_3gacpail_prot_hs_r" + - name: "Mannosyl-3-(Phosphoethanolaminyl-Mannosyl)-Glucosaminyl-Acylphosphatidylinositol-Protein (M4A)" + - compartment: "r" + - formula: "C63H116N4O47P4R2X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00184m" + - name: "[ACP]" + - compartment: "m" + - formula: "C11H21N2O7PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02442m" + - name: "malonyl-[ACP]" + - compartment: "m" + - formula: "C14H22N2O10PRS" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00165p" + - name: "(R)-5-phosphomevalonate" + - compartment: "p" + - formula: "C6H10O7P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02514m" + - name: "N4-acetylaminobutanal" + - compartment: "m" + - formula: "C6H11NO2" + - charge: 0 + - inchis: "1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)" + - !!omap + - id: "m00952m" + - name: "4-acetamidobutanoate" + - compartment: "m" + - formula: "C6H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01646m" + - name: "deamido-NAD" + - compartment: "m" + - formula: "C21H24N6O15P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02585m" + - name: "nicotinate ribonucleotide" + - compartment: "m" + - formula: "C11H12NO9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00025m" + - name: "(15Z)-tetracosenoyl-CoA" + - compartment: "m" + - formula: "C45H76N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00024m" + - name: "(15Z)-tetracosenoylcarnitine" + - compartment: "m" + - formula: "C31H59NO4" + - charge: 0 + - inchis: "1S/C31H59NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h12-13,29H,5-11,14-28H2,1-4H3/t29-/m0/s1" + - !!omap + - id: "m01446r" + - name: "cholest-5-ene-3beta,7alpha,24(S)-triol" + - compartment: "r" + - formula: "C27H46O3" + - charge: 0 + - inchis: "1/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,23+,24-,25+,26+,27-/s2" + - !!omap + - id: "m00610r" + - name: "24-hydroxycholesterol" + - compartment: "r" + - formula: "C27H46O2" + - charge: 0 + - inchis: "1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m01448r" + - name: "cholest-5-ene-3beta,7alpha,27-triol" + - compartment: "r" + - formula: "C27H46O3" + - charge: 0 + - inchis: "1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1" + - !!omap + - id: "m00592m" + - name: "20-hydroxycholesterol" + - compartment: "m" + - formula: "C27H46O2" + - charge: 0 + - inchis: "1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1" + - !!omap + - id: "m02733g" + - name: "phosphatidate-LD-TAG pool" + - compartment: "g" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02684m" + - name: "PC-LD pool" + - compartment: "m" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "pecgoncoa_r" + - name: "Pseudoecgonyl Coenzyme A" + - compartment: "r" + - formula: "C30H46N8O18P3S" + - charge: -3 + - inchis: "" + - !!omap + - id: "pristcoa_p" + - name: "Pristanoyl Coenzyme A" + - compartment: "p" + - formula: "C40H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02717c" + - name: "PGP-CL pool" + - compartment: "c" + - formula: "C8H11O13P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02725m" + - name: "phenylpyruvate" + - compartment: "m" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00553r" + - name: "1-phosphatidyl-1D-myo-inositol-4-phosphate" + - compartment: "r" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00551r" + - name: "1-phosphatidyl-1D-myo-inositol-3,4-bisphosphate" + - compartment: "r" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02680m" + - name: "pantothenate" + - compartment: "m" + - formula: "C9H16NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01636m" + - name: "D-4-phosphopantothenate" + - compartment: "m" + - formula: "C9H15NO8P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01306r" + - name: "AKG" + - compartment: "r" + - formula: "C5H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02943r" + - name: "succinate" + - compartment: "r" + - formula: "C4H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02770r" + - name: "proline" + - compartment: "r" + - formula: "C5H9NO2" + - charge: 0 + - inchis: "1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1" + - !!omap + - id: "m03037r" + - name: "trans-4-hydroxy-L-proline" + - compartment: "r" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1" + - !!omap + - id: "m02808g" + - name: "PS-LD pool" + - compartment: "g" + - formula: "C8H11NO10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02808m" + - name: "PS-LD pool" + - compartment: "m" + - formula: "C8H11NO10PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "phyt_p" + - name: "Phytanate" + - compartment: "p" + - formula: "C20H39O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02816m" + - name: "pyridoxamine-phosphate" + - compartment: "m" + - formula: "C8H12N2O5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02814m" + - name: "pyridoxal-phosphate" + - compartment: "m" + - formula: "C8H8NO6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02833n" + - name: "retinoate" + - compartment: "n" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "xolest_hs_c" + - name: "Cholesterol Ester" + - compartment: "c" + - formula: "C27H45XCO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02933r" + - name: "squalene" + - compartment: "r" + - formula: "C30H50" + - charge: 0 + - inchis: "1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+" + - !!omap + - id: "m00134m" + - name: "(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA" + - compartment: "m" + - formula: "C45H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00133m" + - name: "(9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoylcarnitine" + - compartment: "m" + - formula: "C31H51NO4" + - charge: 0 + - inchis: "1/C31H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h6-7,9-10,12-13,15-16,18-19,29H,5,8,11,14,17,20-28H2,1-4H3" + - !!omap + - id: "m00110m" + - name: "(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA" + - compartment: "m" + - formula: "C45H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00109m" + - name: "(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoylcarnitine" + - compartment: "m" + - formula: "C31H51NO4" + - charge: 0 + - inchis: "1/C31H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,21-22,29H,5-8,11,14,17,20,23-28H2,1-4H3" + - !!omap + - id: "m00131m" + - name: "(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA" + - compartment: "m" + - formula: "C45H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00130m" + - name: "(9Z,12Z,15Z,18Z)-tetracosatetraenoylcarnitine" + - compartment: "m" + - formula: "C31H53NO4" + - charge: 0 + - inchis: "1/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,29H,5-8,11,14,17,20-28H2,1-4H3/t29-/s2" + - !!omap + - id: "m02982m" + - name: "thiamin" + - compartment: "m" + - formula: "C12H17N4OS" + - charge: 1 + - inchis: "1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1" + - !!omap + - id: "m03103c" + - name: "ubiquinone" + - compartment: "c" + - formula: "C59H90O4" + - charge: 0 + - inchis: "1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+" + - !!omap + - id: "m03102c" + - name: "ubiquinol" + - compartment: "c" + - formula: "C59H92O4" + - charge: 0 + - inchis: "1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+" + - !!omap + - id: "m03039c" + - name: "trehalose" + - compartment: "c" + - formula: "C12H22O11" + - charge: 0 + - inchis: "1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1" + - !!omap + - id: "m01095r" + - name: "5beta-cholestane-3alpha,7alpha-diol" + - compartment: "r" + - formula: "C27H48O2" + - charge: 0 + - inchis: "1/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/s2" + - !!omap + - id: "m01178m" + - name: "7alpha,12alpha-dihydroxycholest-4-en-3-one" + - compartment: "m" + - formula: "C27H44O3" + - charge: 0 + - inchis: "1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m01447c" + - name: "cholest-5-ene-3beta,7alpha,25-triol" + - compartment: "c" + - formula: "C27H46O3" + - charge: 0 + - inchis: "1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1" + - !!omap + - id: "m01155s" + - name: "6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin" + - compartment: "s" + - formula: "C9H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01686s" + - name: "dGMP" + - compartment: "s" + - formula: "C10H12N5O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01688s" + - name: "dGTP" + - compartment: "s" + - formula: "C10H12N5O13P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01752s" + - name: "dTMP" + - compartment: "s" + - formula: "C10H13N2O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01753s" + - name: "dTTP" + - compartment: "s" + - formula: "C10H13N2O14P3" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01831s" + - name: "formaldehyde" + - compartment: "s" + - formula: "CH2O" + - charge: 0 + - inchis: "1S/CH2O/c1-2/h1H2" + - !!omap + - id: "m01967s" + - name: "glucose-1-phosphate" + - compartment: "s" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03127s" + - name: "uroporphyrinogen I" + - compartment: "s" + - formula: "C40H36N4O16" + - charge: -8 + - inchis: "" + - !!omap + - id: "m01605s" + - name: "coproporphyrinogen I" + - compartment: "s" + - formula: "C36H40N4O8" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02011s" + - name: "GM2" + - compartment: "s" + - formula: "C50H85N3O26R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02008s" + - name: "GM1" + - compartment: "s" + - formula: "C56H95N3O31R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03108s" + - name: "UDP-glucose" + - compartment: "s" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02411p" + - name: "L-palmitoylcarnitine" + - compartment: "p" + - formula: "C23H45NO4" + - charge: 0 + - inchis: "1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1" + - !!omap + - id: "m02388p" + - name: "linoleic-carnitine" + - compartment: "p" + - formula: "C25H45NO4" + - charge: 0 + - inchis: "1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1" + - !!omap + - id: "m01363p" + - name: "arachidonyl-carnitine" + - compartment: "p" + - formula: "C27H45NO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01747s" + - name: "dTDP" + - compartment: "s" + - formula: "C10H13N2O11P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00755c" + - name: "3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA" + - compartment: "c" + - formula: "C48H74N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "C02528_r" + - name: "Chenodeoxycholate" + - compartment: "r" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "C02528_c" + - name: "Chenodeoxycholate" + - compartment: "c" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00726m" + - name: "3,4-dihydroxymandelaldehyde" + - compartment: "m" + - formula: "C8H8O4" + - charge: 0 + - inchis: "1/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H" + - !!omap + - id: "m00727m" + - name: "3,4-dihydroxymandelate" + - compartment: "m" + - formula: "C8H7O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02137m" + - name: "homovanillate" + - compartment: "m" + - formula: "C9H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00818m" + - name: "3-methoxy-4-hydroxyphenylacetaldehyde" + - compartment: "m" + - formula: "C9H10O3" + - charge: 0 + - inchis: "1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3" + - !!omap + - id: "m00820m" + - name: "3-methoxy-4-hydroxyphenylglycolaldehyde" + - compartment: "m" + - formula: "C9H10O4" + - charge: 0 + - inchis: "1/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-5,8,11-12H,1H3" + - !!omap + - id: "m03136m" + - name: "vanillylmandelate" + - compartment: "m" + - formula: "C9H9O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02336p" + - name: "lanosterol" + - compartment: "p" + - formula: "C30H50O" + - charge: 0 + - inchis: "1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1" + - !!omap + - id: "C02528_s" + - name: "Chenodeoxycholate" + - compartment: "s" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00755m" + - name: "3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA" + - compartment: "m" + - formula: "C48H74N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00968r" + - name: "4alpha-methylzymosterol" + - compartment: "r" + - formula: "C28H46O" + - charge: 0 + - inchis: "1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1" + - !!omap + - id: "m00051r" + - name: "(2E)-hexadecenoyl-CoA" + - compartment: "r" + - formula: "C37H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "HC02097_c" + - name: "3-Oxostearoyl-ACP" + - compartment: "c" + - formula: "C29H53N2O9PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "HC02098_c" + - name: "3-Hydroxystearoyl-ACP" + - compartment: "c" + - formula: "C29H55N2O9PSR" + - charge: -1 + - inchis: "" + - !!omap + - id: "HC02099_c" + - name: "(2E)-Octadecenoyl-ACP" + - compartment: "c" + - formula: "C29H53N2O8PSR" + - charge: -1 + - inchis: "" + - !!omap + - id: "HC01988_c" + - name: "Stearoyl-ACP" + - compartment: "c" + - formula: "C29H55N2O8PRS" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE0692_m" + - name: "3-Oxolaur-Cis-5-Enoyl Coenzyme A" + - compartment: "m" + - formula: "C33H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "HC02154_s" + - name: "Gm4-Pool" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00270s" + - name: "10-HETE" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00083c" + - name: "(3S)-3-hydroxylinoleoyl-CoA" + - compartment: "c" + - formula: "C39H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00884c" + - name: "3-oxolinoleoyl-CoA" + - compartment: "c" + - formula: "C39H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01597s" + - name: "CoA" + - compartment: "s" + - formula: "C21H32N7O16P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02444s" + - name: "malonyl-CoA" + - compartment: "s" + - formula: "C24H33N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m01773s" + - name: "eicosanoyl-CoA" + - compartment: "s" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00866s" + - name: "3-oxodocosanoyl-CoA" + - compartment: "s" + - formula: "C43H72N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00040n" + - name: "(2E)-docosenoyl-CoA" + - compartment: "n" + - formula: "C43H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01725n" + - name: "docosanoyl-CoA" + - compartment: "n" + - formula: "C43H74N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00890r" + - name: "3-oxooctadecanoyl-CoA" + - compartment: "r" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00793r" + - name: "3-hydroxyoctadecanoyl-CoA" + - compartment: "r" + - formula: "C39H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00057n" + - name: "(2E)-octadecenoyl-CoA" + - compartment: "n" + - formula: "C39H64N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02941n" + - name: "stearoyl-CoA" + - compartment: "n" + - formula: "C39H66N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02158s" + - name: "hypothiocyanite" + - compartment: "s" + - formula: "CHNOS" + - charge: 0 + - inchis: "1S/CHNOS/c2-1-4-3/h3H" + - !!omap + - id: "m02986l" + - name: "thiocyanate" + - compartment: "l" + - formula: "CNS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02158l" + - name: "hypothiocyanite" + - compartment: "l" + - formula: "CHNOS" + - charge: 0 + - inchis: "1S/CHNOS/c2-1-4-3/h3H" + - !!omap + - id: "m02158m" + - name: "hypothiocyanite" + - compartment: "m" + - formula: "CHNOS" + - charge: 0 + - inchis: "1S/CHNOS/c2-1-4-3/h3H" + - !!omap + - id: "m02986n" + - name: "thiocyanate" + - compartment: "n" + - formula: "CNS" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02158n" + - name: "hypothiocyanite" + - compartment: "n" + - formula: "CHNOS" + - charge: 0 + - inchis: "1S/CHNOS/c2-1-4-3/h3H" + - !!omap + - id: "maltttr_c" + - name: "Maltotetraose" + - compartment: "c" + - formula: "C24H42O21" + - charge: 0 + - inchis: "1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1" + - !!omap + - id: "maltttr_s" + - name: "Maltotetraose" + - compartment: "s" + - formula: "C24H42O21" + - charge: 0 + - inchis: "1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1" + - !!omap + - id: "CE2881_c" + - name: "3,5,3,5-Tetraiodothyroacetate" + - compartment: "c" + - formula: "C14H7I4O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2885_c" + - name: "3,5,3,5-Tetraiodothyroacetate-Beta-D-Glucuronoside" + - compartment: "c" + - formula: "C20H14I4O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE2881_r" + - name: "3,5,3,5-Tetraiodothyroacetate" + - compartment: "r" + - formula: "C14H7I4O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2885_r" + - name: "3,5,3,5-Tetraiodothyroacetate-Beta-D-Glucuronoside" + - compartment: "r" + - formula: "C20H14I4O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE2882_c" + - name: "3,3,5-Triiodothyroacetate" + - compartment: "c" + - formula: "C14H8I3O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2886_c" + - name: "3,3,5-Triiodothyroacetate-Beta-D-Glucuronoside" + - compartment: "c" + - formula: "C20H15I3O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE2882_r" + - name: "3,3,5-Triiodothyroacetate" + - compartment: "r" + - formula: "C14H8I3O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2886_r" + - name: "3,3,5-Triiodothyroacetate-Beta-D-Glucuronoside" + - compartment: "r" + - formula: "C20H15I3O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "maltpt_s" + - name: "Maltopentaose" + - compartment: "s" + - formula: "C30H52O26" + - charge: 0 + - inchis: "1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26?,27-,28-,29-,30-/m1/s1" + - !!omap + - id: "CE2883_c" + - name: "3,5,3-Triiodothyroacetate" + - compartment: "c" + - formula: "C14H8I3O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2887_c" + - name: "3,5,3-Triiodothyroacetate-Beta-D-Glucuronoside" + - compartment: "c" + - formula: "C20H15I3O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE2883_r" + - name: "3,5,3-Triiodothyroacetate" + - compartment: "r" + - formula: "C14H8I3O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2887_r" + - name: "3,5,3-Triiodothyroacetate-Beta-D-Glucuronoside" + - compartment: "r" + - formula: "C20H15I3O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE2884_c" + - name: "3,5-Diiodothyroacetate" + - compartment: "c" + - formula: "C14H9I2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2888_c" + - name: "3,5-Diiodothyroacetate-Beta-D-Glucuronoside" + - compartment: "c" + - formula: "C20H16I2O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE2884_r" + - name: "3,5-Diiodothyroacetate" + - compartment: "r" + - formula: "C14H9I2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2888_r" + - name: "3,5-Diiodothyroacetate-Beta-D-Glucuronoside" + - compartment: "r" + - formula: "C20H16I2O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "malthx_s" + - name: "Maltohexaose" + - compartment: "s" + - formula: "C36H62O31" + - charge: 0 + - inchis: "1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32-,33-,34-,35-,36-/m1/s1" + - !!omap + - id: "m01387s" + - name: "beta-casomorphin" + - compartment: "s" + - formula: "C44H60N7O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01386s" + - name: "beta-casomorphin (1-6)" + - compartment: "s" + - formula: "C38H49N6O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02563s" + - name: "neocasomorphin" + - compartment: "s" + - formula: "C35H51N6O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02562s" + - name: "neocasomorphin (1-5)" + - compartment: "s" + - formula: "C29H40N5O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01348s" + - name: "apelin-13" + - compartment: "s" + - formula: "C69H114N23O16S" + - charge: 3 + - inchis: "" + - !!omap + - id: "m01347s" + - name: "apelin-(1-12)" + - compartment: "s" + - formula: "C60H105N22O15S" + - charge: 3 + - inchis: "" + - !!omap + - id: "malthp_s" + - name: "Maltoheptaose" + - compartment: "s" + - formula: "C42H72O36" + - charge: 0 + - inchis: "1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37-,38-,39-,40-,41-,42-/m1/s1" + - !!omap + - id: "CE1950_c" + - name: "Cyanosulfurous Acid Anion" + - compartment: "c" + - formula: "CH2NO2S" + - charge: 0 + - inchis: "1S/CH2NO2S/c2-1-5(3)4/h3-4H" + - !!omap + - id: "cynt_c" + - name: "Cyanate" + - compartment: "c" + - formula: "CNO" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE1950_s" + - name: "Cyanosulfurous Acid Anion" + - compartment: "s" + - formula: "CH2NO2S" + - charge: 0 + - inchis: "1S/CH2NO2S/c2-1-5(3)4/h3-4H" + - !!omap + - id: "cynt_s" + - name: "Cyanate" + - compartment: "s" + - formula: "CNO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02949l" + - name: "sulfite" + - compartment: "l" + - formula: "O3S" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE1950_l" + - name: "Cyanosulfurous Acid Anion" + - compartment: "l" + - formula: "CH2NO2S" + - charge: 0 + - inchis: "1S/CH2NO2S/c2-1-5(3)4/h3-4H" + - !!omap + - id: "cynt_l" + - name: "Cyanate" + - compartment: "l" + - formula: "CNO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02949n" + - name: "sulfite" + - compartment: "n" + - formula: "O3S" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE1950_n" + - name: "Cyanosulfurous Acid Anion" + - compartment: "n" + - formula: "CH2NO2S" + - charge: 0 + - inchis: "1S/CH2NO2S/c2-1-5(3)4/h3-4H" + - !!omap + - id: "cynt_n" + - name: "Cyanate" + - compartment: "n" + - formula: "CNO" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2891_c" + - name: "Dynorphin B" + - compartment: "c" + - formula: "C74H118N21O17" + - charge: 3 + - inchis: "" + - !!omap + - id: "CE4753_c" + - name: "Dynorphin B (10-13)" + - compartment: "c" + - formula: "C20H40N5O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "CE4754_c" + - name: "Dynorphin B (6-9)" + - compartment: "c" + - formula: "C26H45N11O6" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02319m" + - name: "kynurenine" + - compartment: "m" + - formula: "C10H12N2O3" + - charge: 0 + - inchis: "1/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/s2" + - !!omap + - id: "m00990m" + - name: "4-hydroxy-2-quinolinecarboxylic acid" + - compartment: "m" + - formula: "C10H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02736m" + - name: "phosphatidylinositol-4,5-bisphosphate" + - compartment: "m" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00554m" + - name: "1-phosphatidyl-1D-myo-inositol-5-phosphate" + - compartment: "m" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02387m" + - name: "linoleate" + - compartment: "m" + - formula: "C18H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02387p" + - name: "linoleate" + - compartment: "p" + - formula: "C18H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00081c" + - name: "(3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA" + - compartment: "c" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00855c" + - name: "3-oxo-cis,cis-7,10-hexadecadienoyl-CoA" + - compartment: "c" + - formula: "C37H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00696c" + - name: "3(S)-hydroxy-(5Z,8Z)-tetradecadienoyl-CoA" + - compartment: "c" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00854c" + - name: "3-oxo-cis,cis-5,8-tetradecadienoyl-CoA" + - compartment: "c" + - formula: "C35H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00082c" + - name: "(3S)-3-hydroxydodec-cis-6-enoyl-CoA" + - compartment: "c" + - formula: "C33H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00883c" + - name: "3-oxolaur-6-cis-enoyl-CoA" + - compartment: "c" + - formula: "C33H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01110m" + - name: "5-hydroxytryptophol" + - compartment: "m" + - formula: "C10H11NO2" + - charge: 0 + - inchis: "1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2" + - !!omap + - id: "m01183c" + - name: "7alpha-hydroxycholesterol" + - compartment: "c" + - formula: "C27H46O2" + - charge: 0 + - inchis: "1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1" + - !!omap + - id: "m01182m" + - name: "7alpha-hydroxycholest-4-en-3-one" + - compartment: "m" + - formula: "C27H44O2" + - charge: 0 + - inchis: "1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1" + - !!omap + - id: "CE0233_c" + - name: "5Beta-Cholestane-3Alpha,7Alpha,27-Triol" + - compartment: "c" + - formula: "C27H48O3" + - charge: 0 + - inchis: "1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26?,27-/m1/s1" + - !!omap + - id: "m01089c" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,25-tetrol" + - compartment: "c" + - formula: "C27H48O4" + - charge: 0 + - inchis: "1/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/s2" + - !!omap + - id: "m01085c" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol" + - compartment: "c" + - formula: "C27H48O5" + - charge: 0 + - inchis: "1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/s2" + - !!omap + - id: "m01086c" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,24r,25-pentol" + - compartment: "c" + - formula: "C27H48O5" + - charge: 0 + - inchis: "1/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16?,17-,18-,19+,20+,21-,22?,23+,24+,26+,27-/s2" + - !!omap + - id: "m01088c" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,25,27-pentol" + - compartment: "c" + - formula: "C27H48O5" + - charge: 0 + - inchis: "1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1" + - !!omap + - id: "CE0233_m" + - name: "5Beta-Cholestane-3Alpha,7Alpha,27-Triol" + - compartment: "m" + - formula: "C27H48O3" + - charge: 0 + - inchis: "1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26?,27-/m1/s1" + - !!omap + - id: "m00763c" + - name: "3beta-hydroxy-5-cholestenal" + - compartment: "c" + - formula: "C27H44O2" + - charge: 0 + - inchis: "1/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18?,19?,21-,22?,23+,24?,25?,26-,27+/s2" + - !!omap + - id: "m00764c" + - name: "3beta-hydroxy-5-cholestene-27-oate" + - compartment: "c" + - formula: "C27H43O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00761c" + - name: "3beta,7alpha-dihydroxy-5-cholestenoate" + - compartment: "c" + - formula: "C27H43O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01180c" + - name: "7alpha-hydroxy-3-oxo-4-cholestenoic acid" + - compartment: "c" + - formula: "C27H41O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01434m" + - name: "chenodeoxycholoyl-CoA" + - compartment: "m" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00614m" + - name: "25(R)DHCA-CoA" + - compartment: "m" + - formula: "C48H76N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00570s" + - name: "2,3-cyclic-UMP" + - compartment: "s" + - formula: "C9H10N2O8P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00921s" + - name: "3-UMP" + - compartment: "s" + - formula: "C9H11N2O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02734g" + - name: "phosphatidylinositol-3,4,5-trisphosphate" + - compartment: "g" + - formula: "C11H13O22P4R2" + - charge: -7 + - inchis: "" + - !!omap + - id: "m02735g" + - name: "phosphatidylinositol-3,5-bisphosphate" + - compartment: "g" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02734r" + - name: "phosphatidylinositol-3,4,5-trisphosphate" + - compartment: "r" + - formula: "C11H13O22P4R2" + - charge: -7 + - inchis: "" + - !!omap + - id: "m00635r" + - name: "2-arachidonoylglycerol" + - compartment: "r" + - formula: "C23H38O4" + - charge: 0 + - inchis: "1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-" + - !!omap + - id: "m00635g" + - name: "2-arachidonoylglycerol" + - compartment: "g" + - formula: "C23H38O4" + - charge: 0 + - inchis: "1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-" + - !!omap + - id: "m00534g" + - name: "1-lyso-2-arachidonoyl-phosphatidate" + - compartment: "g" + - formula: "C23H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00534r" + - name: "1-lyso-2-arachidonoyl-phosphatidate" + - compartment: "r" + - formula: "C23H37O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02786m" + - name: "prostaglandin E2" + - compartment: "m" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02777m" + - name: "prostaglandin A2" + - compartment: "m" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2953_c" + - name: "Rac-5,6-Epoxy-Retinoate" + - compartment: "c" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE1162_c" + - name: "Vitamin A2" + - compartment: "c" + - formula: "C20H28O" + - charge: 0 + - inchis: "1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+" + - !!omap + - id: "CE2955_c" + - name: "All-Trans-3,4-Didehydroretinoate" + - compartment: "c" + - formula: "C20H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE5775_c" + - name: "Iso-A2E(9-Cis)" + - compartment: "c" + - formula: "C42H58NO" + - charge: 1 + - inchis: "1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1" + - !!omap + - id: "CE5776_c" + - name: "Iso-A2E(11-Cis)" + - compartment: "c" + - formula: "C42H58NO" + - charge: 1 + - inchis: "1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1" + - !!omap + - id: "CE1297_c" + - name: "8-Dehydrocholesterol" + - compartment: "c" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1" + - !!omap + - id: "CE1294_c" + - name: "27Alpha-Hydroxy-8-Dehydrocholesterol" + - compartment: "c" + - formula: "C27H44O2" + - charge: 0 + - inchis: "1/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21,23-24,28-29H,5-7,9-17H2,1-4H3/t18?,19?,21-,23?,24?,26-,27+/s2" + - !!omap + - id: "CE1297_m" + - name: "8-Dehydrocholesterol" + - compartment: "m" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1" + - !!omap + - id: "CE1294_m" + - name: "27Alpha-Hydroxy-8-Dehydrocholesterol" + - compartment: "m" + - formula: "C27H44O2" + - charge: 0 + - inchis: "1/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21,23-24,28-29H,5-7,9-17H2,1-4H3/t18?,19?,21-,23?,24?,26-,27+/s2" + - !!omap + - id: "CE5932_c" + - name: "13,14-Epoxy-Retinol" + - compartment: "c" + - formula: "C20H30O2" + - charge: 0 + - inchis: "1/C20H30O2/c1-15(8-6-13-20(5)18(14-21)22-20)10-11-17-16(2)9-7-12-19(17,3)4/h6,8,10-11,13,18,21H,7,9,12,14H2,1-5H3/b11-10+,13-6+,15-8-" + - !!omap + - id: "CE5013_c" + - name: "14-Hydroxy-4,14-Retro-Retinol" + - compartment: "c" + - formula: "C20H30O2" + - charge: 0 + - inchis: "1S/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12-" + - !!omap + - id: "m02315s" + - name: "kinetensin 1-7" + - compartment: "s" + - formula: "C41H67N15O9" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02316s" + - name: "kinetensin 1-8" + - compartment: "s" + - formula: "C50H76N16O10" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02570s" + - name: "neuromedin N" + - compartment: "s" + - formula: "C32H51N5O7" + - charge: 0 + - inchis: "1S/C32H51N5O7/c1-7-19(5)26(33)31(42)37-15-9-10-25(37)29(40)34-23(17-21-11-13-22(38)14-12-21)28(39)36-27(20(6)8-2)30(41)35-24(32(43)44)16-18(3)4/h11-14,18-20,23-27,38H,7-10,15-17,33H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)(H,43,44)/t19-,20-,23+,24+,25+,26-,27-/m1/s1" + - !!omap + - id: "m02569s" + - name: "neuromedin N(1-4)" + - compartment: "s" + - formula: "C26H40N4O6" + - charge: 0 + - inchis: "1S/C26H40N4O6/c1-5-15(3)21(27)25(34)30-13-7-8-20(30)24(33)28-19(14-17-9-11-18(31)12-10-17)23(32)29-22(26(35)36)16(4)6-2/h9-12,15-16,19-22,31H,5-8,13-14,27H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t15-,16-,19+,20+,21-,22-/m1/s1" + - !!omap + - id: "m01738p" + - name: "dopamine-O-quinone" + - compartment: "p" + - formula: "C8H10NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00788m" + - name: "3-hydroxy-L-kynurenine" + - compartment: "m" + - formula: "C10H12N2O4" + - charge: 0 + - inchis: "1/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/s2" + - !!omap + - id: "m03151m" + - name: "xanthurenate" + - compartment: "m" + - formula: "C10H6NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE5837_c" + - name: "7,8-Epoxy-8Alpha-Hydroperoxytocopherone" + - compartment: "c" + - formula: "C29H50O5" + - charge: 0 + - inchis: "1S/C29H50O5/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-26(6)19-17-24-23(5)25(30)27(7)28(8,33-27)29(24,32-26)34-31/h20-22,31H,9-19H2,1-8H3/t21-,22-,26?,27?,28?,29-/m0/s1" + - !!omap + - id: "CE5838_c" + - name: "5,6-Epoxy-Alpha-Tocopheryl Quinone" + - compartment: "c" + - formula: "C29H50O4" + - charge: 0 + - inchis: "1/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-27(6,32)19-17-24-23(5)25(30)28(7)29(8,33-28)26(24)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28?,29?/s2" + - !!omap + - id: "CE5839_c" + - name: "4Alpha,5-Epoxy-8Alpha-Hydroperoxytocopherone" + - compartment: "c" + - formula: "C29H50O5" + - charge: 0 + - inchis: "1S/C29H50O5/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-26(7)18-19-28-27(8,33-28)25(30)23(5)24(6)29(28,32-26)34-31/h20-22,31H,9-19H2,1-8H3/t21-,22-,26?,27?,28?,29?/m0/s1" + - !!omap + - id: "CE5840_c" + - name: "2,3-Epoxy-Alpha-Tocopheryl Quinone" + - compartment: "c" + - formula: "C29H50O4" + - charge: 0 + - inchis: "1/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(7,32)18-19-29-26(31)24(6)23(5)25(30)28(29,8)33-29/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28?,29?/s2" + - !!omap + - id: "m00766r" + - name: "3-carboxy-alpha-chromanol" + - compartment: "r" + - formula: "C16H21O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01321r" + - name: "alpha-CEHC-glucuronide" + - compartment: "r" + - formula: "C22H29O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01923r" + - name: "gamma-carboxyethyl-hydroxychroman" + - compartment: "r" + - formula: "C15H19O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01924r" + - name: "gamma-CEHC-glucuronide" + - compartment: "r" + - formula: "C21H27O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01675n" + - name: "desmosterol" + - compartment: "n" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m00787m" + - name: "3-hydroxykynurenine-O-beta-D-glucoside" + - compartment: "m" + - formula: "C16H22N2O9" + - charge: 0 + - inchis: "1S/C16H22N2O9/c17-7(15(24)25)4-8(20)6-2-1-3-9(11(6)18)26-16-14(23)13(22)12(21)10(5-19)27-16/h1-3,7,10,12-14,16,19,21-23H,4-5,17-18H2,(H,24,25)/t7-,10+,12-,13-,14-,16+/m1/s1" + - !!omap + - id: "m01979m" + - name: "glutathionyl-3-hydroxykynurenine glucoside" + - compartment: "m" + - formula: "C26H36N5O14S" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE5829_c" + - name: "5-Ht-Moduline" + - compartment: "c" + - formula: "C18H34N4O6" + - charge: 0 + - inchis: "1S/C18H34N4O6/c1-9(2)6-12(19)16(25)22-14(8-23)17(26)20-11(5)15(24)21-13(18(27)28)7-10(3)4/h9-14,23H,6-8,19H2,1-5H3,(H,20,26)(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13+,14+/m1/s1" + - !!omap + - id: "CE5865_c" + - name: "L-Leucyl-L-Serine" + - compartment: "c" + - formula: "C9H18N2O4" + - charge: 0 + - inchis: "1S/C9H18N2O4/c1-5(2)3-6(10)8(13)11-7(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1" + - !!omap + - id: "CE5866_c" + - name: "L-Alanyl-L-Leucine" + - compartment: "c" + - formula: "C9H18N2O3" + - charge: 0 + - inchis: "1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7+/m1/s1" + - !!omap + - id: "m02551s" + - name: "N-acetyl-seryl-aspartyl-lysyl-proline" + - compartment: "s" + - formula: "C20H32N5O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02550s" + - name: "N-acetyl-seryl-aspartate" + - compartment: "s" + - formula: "C9H12N2O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02429s" + - name: "lysyl-proline" + - compartment: "s" + - formula: "C11H22N3O3" + - charge: 1 + - inchis: "" + - !!omap + - id: "CE5016_c" + - name: "13,14-Dihydroxy-Retinol" + - compartment: "c" + - formula: "C20H32O3" + - charge: 0 + - inchis: "1/C20H32O3/c1-15(8-6-13-20(5,23)18(22)14-21)10-11-17-16(2)9-7-12-19(17,3)4/h6,8,10-11,13,18,21-23H,7,9,12,14H2,1-5H3/b11-10+,13-6+,15-8+" + - !!omap + - id: "C06948_c" + - name: "Diazepam" + - compartment: "c" + - formula: "C16ClH13N2O" + - charge: 0 + - inchis: "1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3" + - !!omap + - id: "C07486_c" + - name: "Nordazepam" + - compartment: "c" + - formula: "C15ClH11N2O" + - charge: 0 + - inchis: "1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)" + - !!omap + - id: "m01831r" + - name: "formaldehyde" + - compartment: "r" + - formula: "CH2O" + - charge: 0 + - inchis: "1S/CH2O/c1-2/h1H2" + - !!omap + - id: "C06948_r" + - name: "Diazepam" + - compartment: "r" + - formula: "C16ClH13N2O" + - charge: 0 + - inchis: "1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3" + - !!omap + - id: "C07486_r" + - name: "Nordazepam" + - compartment: "r" + - formula: "C15ClH11N2O" + - charge: 0 + - inchis: "1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)" + - !!omap + - id: "C06453_c" + - name: "Methylcobalamin" + - compartment: "c" + - formula: "C63CoH91N13O14P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02156s" + - name: "hypochlorite" + - compartment: "s" + - formula: "ClHO" + - charge: 0 + - inchis: "1S/ClHO/c1-2/h2H" + - !!omap + - id: "m01442l" + - name: "chloride" + - compartment: "l" + - formula: "Cl" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02156l" + - name: "hypochlorite" + - compartment: "l" + - formula: "ClHO" + - charge: 0 + - inchis: "1S/ClHO/c1-2/h2H" + - !!omap + - id: "m01442n" + - name: "chloride" + - compartment: "n" + - formula: "Cl" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02156n" + - name: "hypochlorite" + - compartment: "n" + - formula: "ClHO" + - charge: 0 + - inchis: "1S/ClHO/c1-2/h2H" + - !!omap + - id: "m02591s" + - name: "nitryl-chloride" + - compartment: "s" + - formula: "ClNO2" + - charge: 0 + - inchis: "1S/ClNO2/c1-4-2-3" + - !!omap + - id: "m02588l" + - name: "nitrite" + - compartment: "l" + - formula: "NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02591l" + - name: "nitryl-chloride" + - compartment: "l" + - formula: "ClNO2" + - charge: 0 + - inchis: "1S/ClNO2/c1-4-2-3" + - !!omap + - id: "m02588n" + - name: "nitrite" + - compartment: "n" + - formula: "NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02591n" + - name: "nitryl-chloride" + - compartment: "n" + - formula: "ClNO2" + - charge: 0 + - inchis: "1S/ClNO2/c1-4-2-3" + - !!omap + - id: "m01973s" + - name: "glucuronate" + - compartment: "s" + - formula: "C6H9O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01923s" + - name: "gamma-carboxyethyl-hydroxychroman" + - compartment: "s" + - formula: "C15H19O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01924s" + - name: "gamma-CEHC-glucuronide" + - compartment: "s" + - formula: "C21H27O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01923l" + - name: "gamma-carboxyethyl-hydroxychroman" + - compartment: "l" + - formula: "C15H19O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01924l" + - name: "gamma-CEHC-glucuronide" + - compartment: "l" + - formula: "C21H27O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2615_c" + - name: "2-Hydroxyamino-3,8-Dimethylimidazo[4,5-F]Quinoxaline" + - compartment: "c" + - formula: "C11H11N5O" + - charge: 0 + - inchis: "1S/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)" + - !!omap + - id: "CE2616_c" + - name: "2-Hydroxyamino-Meiqx-N2-(Beta-1-Glucosiduronyl)-2-Hydroxyamino-3,8-Dimethylimidazo[4,5-F]Quinoxaline" + - compartment: "c" + - formula: "C17H18N5O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2615_r" + - name: "2-Hydroxyamino-3,8-Dimethylimidazo[4,5-F]Quinoxaline" + - compartment: "r" + - formula: "C11H11N5O" + - charge: 0 + - inchis: "1S/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)" + - !!omap + - id: "CE2616_r" + - name: "2-Hydroxyamino-Meiqx-N2-(Beta-1-Glucosiduronyl)-2-Hydroxyamino-3,8-Dimethylimidazo[4,5-F]Quinoxaline" + - compartment: "r" + - formula: "C17H18N5O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00751c" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-al" + - compartment: "c" + - formula: "C27H46O4" + - charge: 0 + - inchis: "1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18?,19+,20-,21?,22?,23+,24-,25?,26?,27-/m1/s1" + - !!omap + - id: "m01087c" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,24s,25-pentol" + - compartment: "c" + - formula: "C27H48O5" + - charge: 0 + - inchis: "1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1" + - !!omap + - id: "m00747c" + - name: "3alpha,7alpha,12alpha,25-tetrahydroxy-5beta-cholestane-24-one" + - compartment: "c" + - formula: "C27H46O5" + - charge: 0 + - inchis: "1/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-21,23-24,28-29,31-32H,6-14H2,1-5H3/t15?,16?,17?,18-,19?,20?,21?,23?,24?,26+,27-/s2" + - !!omap + - id: "m03107s" + - name: "UDP-galactose" + - compartment: "s" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01679s" + - name: "D-galactosyl-N-acylsphingosine" + - compartment: "s" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01430s" + - name: "ceramide pool" + - compartment: "s" + - formula: "C18H36NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03107n" + - name: "UDP-galactose" + - compartment: "n" + - formula: "C15H22N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01679n" + - name: "D-galactosyl-N-acylsphingosine" + - compartment: "n" + - formula: "C24H46NO7RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01430n" + - name: "ceramide pool" + - compartment: "n" + - formula: "C18H36NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m03121n" + - name: "urea" + - compartment: "n" + - formula: "CH4N2O" + - charge: 0 + - inchis: "1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" + - !!omap + - id: "m03120n" + - name: "urate" + - compartment: "n" + - formula: "C5H4N4O3" + - charge: 0 + - inchis: "1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)" + - !!omap + - id: "m01315n" + - name: "alloxan" + - compartment: "n" + - formula: "C4N2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00177c" + - name: "(S)-3-hydroxypalmitoleoyl-CoA" + - compartment: "c" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00894c" + - name: "3-oxopalmitoleoyl-CoA" + - compartment: "c" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01574c" + - name: "cis-(3S)-hydroxytetradec-7-enoyl-CoA" + - compartment: "c" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00886c" + - name: "3-oxomyrist-7-enoyl-CoA" + - compartment: "c" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE2597_c" + - name: "3(S)-3-Hydroxydodecen-(5Z)-Oyl Coenzyme A" + - compartment: "c" + - formula: "C33H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE0692_c" + - name: "3-Oxolaur-Cis-5-Enoyl Coenzyme A" + - compartment: "c" + - formula: "C33H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE2597_m" + - name: "3(S)-3-Hydroxydodecen-(5Z)-Oyl Coenzyme A" + - compartment: "m" + - formula: "C33H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE2597_p" + - name: "3(S)-3-Hydroxydodecen-(5Z)-Oyl Coenzyme A" + - compartment: "p" + - formula: "C33H52N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE0692_p" + - name: "3-Oxolaur-Cis-5-Enoyl Coenzyme A" + - compartment: "p" + - formula: "C33H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "C03372_c" + - name: "1-Acylglycerone 3-Phosphate" + - compartment: "c" + - formula: "C4H4O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02675m" + - name: "palmitolate" + - compartment: "m" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02675p" + - name: "palmitolate" + - compartment: "p" + - formula: "C16H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "CE2596_m" + - name: "Trans,Cis-Dodeca-2,5-Dienoyl Coenzyme A" + - compartment: "m" + - formula: "C33H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE2596_p" + - name: "Trans,Cis-Dodeca-2,5-Dienoyl Coenzyme A" + - compartment: "p" + - formula: "C33H50N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02736g" + - name: "phosphatidylinositol-4,5-bisphosphate" + - compartment: "g" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02736r" + - name: "phosphatidylinositol-4,5-bisphosphate" + - compartment: "r" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m02735n" + - name: "phosphatidylinositol-3,5-bisphosphate" + - compartment: "n" + - formula: "C11H14O19P3R2" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00552g" + - name: "1-phosphatidyl-1D-myo-inositol-3-phosphate" + - compartment: "g" + - formula: "C11H15O16P2R2" + - charge: -3 + - inchis: "" + - !!omap + - id: "C03968_c" + - name: "1-Alkyl-Sn-Glycerol 3-Phosphate" + - compartment: "c" + - formula: "C3H6O6PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE5117_m" + - name: "(3E,5Z,8Z)-Tetradecatrienoyl Coenzyme A" + - compartment: "m" + - formula: "C35H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE5118_m" + - name: "Trans-2-Cis,Cis-4,8-Tetradecatrienoyl Coenzyme A" + - compartment: "m" + - formula: "C35H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE5119_m" + - name: "Trans-3-Cis-8-Tetradecadienoyl Coenzyme A" + - compartment: "m" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE5120_m" + - name: "Trans-2-Cis-8-Tetradecadienoyl Coenzyme A" + - compartment: "m" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE4790_m" + - name: "(3S)-3-Hydroxy-Cis-8-Tetradecenoyl Coenzyme A" + - compartment: "m" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE4792_m" + - name: "3-Oxo-Cis-8-Tetradecenoyl Coenzyme A" + - compartment: "m" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE4794_m" + - name: "Cis-6-Dodecenoyl Coenzyme A" + - compartment: "m" + - formula: "C33H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "C01264_c" + - name: "1-Alkyl-2-Acetyl-Sn-Glycerol 3-Phosphate" + - compartment: "c" + - formula: "C5H8O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE5122_p" + - name: "3(S)-Phytanoyl Coenzyme A" + - compartment: "p" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE5123_p" + - name: "3(S)-2-Hydroxyphytanoyl Coenzyme A" + - compartment: "p" + - formula: "C41H70N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "CE5122_c" + - name: "3(S)-Phytanoyl Coenzyme A" + - compartment: "c" + - formula: "C41H70N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00075c" + - name: "(2R)-pristanoyl-CoA" + - compartment: "c" + - formula: "C40H68N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01736l" + - name: "dopamine" + - compartment: "l" + - formula: "C8H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01738l" + - name: "dopamine-O-quinone" + - compartment: "l" + - formula: "C8H10NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01736p" + - name: "dopamine" + - compartment: "p" + - formula: "C8H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00859r" + - name: "3-oxo-dihomo-gamma-linolenoyl-CoA" + - compartment: "r" + - formula: "C41H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03029r" + - name: "trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA" + - compartment: "r" + - formula: "C41H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01769r" + - name: "eicosa-(2E,8Z,11Z,14Z,17Z)-pentaenoyl-CoA" + - compartment: "r" + - formula: "C41H60N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00811r" + - name: "3-keto-eicosa-8,11,14,17-all-cis-tetraenoyl-CoA" + - compartment: "r" + - formula: "C41H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01069m" + - name: "5-alpha-dihydrotestosterone" + - compartment: "m" + - formula: "C19H30O2" + - charge: 0 + - inchis: 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- name: "3(S),12(R)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00690c" + - name: "3(S),12(S)-dihydroxy-5-oxo-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00741c" + - name: "3,5-dioxo-12(S)-hydroxy-eicosa-(8E,10E,14Z)-trienoyl-CoA" + - compartment: "c" + - formula: "C41H60N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00751r" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-al" + - compartment: "r" + - formula: "C27H46O4" + - charge: 0 + - inchis: "1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18?,19+,20-,21?,22?,23+,24-,25?,26?,27-/m1/s1" + - !!omap + - id: "m00766s" + - name: "3-carboxy-alpha-chromanol" + - compartment: "s" + - formula: "C16H21O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01321s" + - name: "alpha-CEHC-glucuronide" + - compartment: "s" + - formula: "C22H29O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00766l" + - name: "3-carboxy-alpha-chromanol" + - compartment: "l" + - formula: "C16H21O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01321l" + - name: "alpha-CEHC-glucuronide" + - compartment: "l" + - formula: "C22H29O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02796m" + - name: "prostaglandin J2" + - compartment: "m" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01662m" + - name: "delta-12-prostaglandin J2" + - compartment: "m" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00252r" + - name: "10,11-dihydro-12-epi-LTB4" + - compartment: "r" + - formula: "C20H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00846c" + - name: "3-oxo-5(S),12(R)-dihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA" + - compartment: "c" + - formula: "C41H62N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00691c" + - name: "3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA" + - compartment: "c" + - formula: "C41H64N7O20P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01123m" + - name: "5-oxo-12-HETE" + - compartment: "m" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01123p" + - name: "5-oxo-12-HETE" + - compartment: "p" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01040n" + - name: "5(S)-HETE" + - compartment: "n" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01126m" + - name: "5-oxo-ETE" + - compartment: "m" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01040p" + - name: "5(S)-HETE" + - compartment: "p" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01126p" + - name: "5-oxo-ETE" + - compartment: "p" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02364n" + - name: "leukotriene B4" + - compartment: "n" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "C08276_c" + - name: "3-(Methylthio)Propionate" + - compartment: "c" + - formula: "C4H7O2S" + - charge: -1 + - inchis: "" + - !!omap + - id: "ch4s_c" + - name: "Methanethiol" + - compartment: "c" + - formula: "CH4S" + - charge: 0 + - inchis: "1S/CH4S/c1-2/h2H,1H3" + - !!omap + - id: "acryl_c" + - name: "Acrylate" + - compartment: "c" + - formula: "C3H3O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00309m" + - name: "12(S)-HPETE" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02096m" + - name: "hepoxilin A3" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00309n" + - name: "12(S)-HPETE" + - compartment: "n" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02096n" + - name: "hepoxilin A3" + - compartment: "n" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02097m" + - name: "hepoxilin A3-c" + - compartment: "m" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01234m" + - name: "9-deoxy-delta12-PGD2" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02859m" + - name: "S-(9-deoxy-delta12-PGD2)-glutathione" + - compartment: "m" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01234r" + - name: "9-deoxy-delta12-PGD2" + - compartment: "r" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02859r" + - name: "S-(9-deoxy-delta12-PGD2)-glutathione" + - compartment: "r" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02864m" + - name: "S-(PGJ2)-glutathione" + - compartment: "m" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02864r" + - name: "S-(PGJ2)-glutathione" + - compartment: "r" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02860m" + - name: "S-(9-deoxy-delta9,12-PGD2)-glutathione" + - compartment: "m" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02860r" + - name: "S-(9-deoxy-delta9,12-PGD2)-glutathione" + - compartment: "r" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02863m" + - name: "S-(PGA2)-glutathione" + - compartment: "m" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02777r" + - name: "prostaglandin A2" + - compartment: "r" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02863r" + - name: "S-(PGA2)-glutathione" + - compartment: "r" + - formula: "C30H45N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02776m" + - name: "prostaglandin A1" + - compartment: "m" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02862m" + - name: "S-(PGA1)-glutathione" + - compartment: "m" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02776r" + - name: "prostaglandin A1" + - compartment: "r" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02862r" + - name: "S-(PGA1)-glutathione" + - compartment: "r" + - formula: "C30H47N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00420c" + - name: "18,20-dioxo-20-CoA-LTB4" + - compartment: "c" + - formula: "C41H57N7O22P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "m00581c" + - name: "20-CoA-20-oxo-18r-hydroxy-LTB4" + - compartment: "c" + - formula: "C41H59N7O22P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "CE2516_c" + - name: "(8Z,11Z,14Z)-Eicosatrienoic Acid" + - compartment: "c" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02785n" + - name: "prostaglandin E1" + - compartment: "n" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02793n" + - name: "prostaglandin H1" + - compartment: "n" + - formula: "C20H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00329m" + - name: "12-oxo-20-carboxy-LTB4" + - compartment: "m" + - formula: "C20H26O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00328m" + - name: "12-oxo-10,11-dihydro-20-COOH-LTB4" + - compartment: "m" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00329p" + - name: "12-oxo-20-carboxy-LTB4" + - compartment: "p" + - formula: "C20H26O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00328p" + - name: "12-oxo-10,11-dihydro-20-COOH-LTB4" + - compartment: "p" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "CE4794_p" + - name: "Cis-6-Dodecenoyl Coenzyme A" + - compartment: "p" + - formula: "C33H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00678c" + - name: "2-trans-4-cis-decadienoyl-CoA" + - compartment: "c" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m03035c" + - name: "trans-3-decenoyl-CoA" + - compartment: "c" + - formula: "C31H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02891r" + - name: "selenomethionine" + - compartment: "r" + - formula: "C5H11NO2Se" + - charge: 0 + - inchis: "1/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" + - !!omap + - id: "m02892r" + - name: "selenomethionine-se-oxide" + - compartment: "r" + - formula: "C5H11NO3Se" + - charge: 0 + - inchis: "1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1" + - !!omap + - id: "m01115n" + - name: "5-methyl-THF" + - compartment: "n" + - formula: "C20H24N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02980n" + - name: "THF" + - compartment: "n" + - formula: "C19H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02890n" + - name: "selenohomocysteine" + - compartment: "n" + - formula: "C4H9NO2Se" + - charge: 0 + - inchis: "1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1" + - !!omap + - id: "m02891n" + - name: "selenomethionine" + - compartment: "n" + - formula: "C5H11NO2Se" + - charge: 0 + - inchis: "1/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" + - !!omap + - id: "m01115r" + - name: "5-methyl-THF" + - compartment: "r" + - formula: "C20H24N7O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02980r" + - name: "THF" + - compartment: "r" + - formula: "C19H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02890r" + - name: "selenohomocysteine" + - compartment: "r" + - formula: "C4H9NO2Se" + - charge: 0 + - inchis: "1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1" + - !!omap + - id: "m02617r" + - name: "noradrenaline" + - compartment: "r" + - formula: "C8H12NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02618r" + - name: "noradrenochrome" + - compartment: "r" + - formula: "C8H7NO3" + - charge: 0 + - inchis: "1/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1,8,12H,2-3H2" + - !!omap + - id: "CN0012_c" + - name: "Benzo[A]Pyrene-2,3-Oxide" + - compartment: "c" + - formula: "C20H12O" + - charge: 0 + - inchis: "1/C20H12O/c1-2-4-14-11(3-1)9-12-6-8-16-19-13(10-17-20(16)21-17)5-7-15(14)18(12)19/h1-10,17,20H" + - !!omap + - id: "m01374r" + - name: "benzo[a]pyrene" + - compartment: "r" + - formula: "C20H12" + - charge: 0 + - inchis: "" + - !!omap + - id: "CN0012_r" + - name: "Benzo[A]Pyrene-2,3-Oxide" + - compartment: "r" + - formula: "C20H12O" + - charge: 0 + - inchis: "1/C20H12O/c1-2-4-14-11(3-1)9-12-6-8-16-19-13(10-17-20(16)21-17)5-7-15(14)18(12)19/h1-10,17,20H" + - !!omap + - id: "CN0009_r" + - name: "Benzo[A]Pyrene-2,3-Diol" + - compartment: "r" + - formula: "C20H14O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01375r" + - name: "benzo[a]pyrene-4,5-oxide" + - compartment: "r" + - formula: "C20H12O" + - charge: 0 + - inchis: "1/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H" + - !!omap + - id: "CN0010_r" + - name: "Benzo[A]Pyrene-4,5-Diol" + - compartment: "r" + - formula: "C20H12O2" + - charge: 0 + - inchis: "1S/C20H12O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,21-22H" + - !!omap + - id: "m01379r" + - name: "benzo[a]pyrene-9,10-oxide" + - compartment: "r" + - formula: "C20H12O" + - charge: 0 + - inchis: "1/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H" + - !!omap + - id: "CN0011_r" + - name: "Benzo[A]Pyrene-9,10-Diol" + - compartment: "r" + - formula: "C20H12O2" + - charge: 0 + - inchis: "1S/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H" + - !!omap + - id: "CN0021_c" + - name: "7,12-Dimethylbenz[A]Anthracene-3,4-Oxide" + - compartment: "c" + - formula: "C20H16O" + - charge: 0 + - inchis: "1/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3" + - !!omap + - id: "m01174r" + - name: "7,12-dimethylbenz[a]anthracene" + - compartment: "r" + - formula: "C20H16" + - charge: 0 + - inchis: "1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3" + - !!omap + - id: "CN0021_r" + - name: "7,12-Dimethylbenz[A]Anthracene-3,4-Oxide" + - compartment: "r" + - formula: "C20H16O" + - charge: 0 + - inchis: "1/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3" + - !!omap + - id: "CN0022_c" + - name: "7,12-Dimethylbenz[A]Anthracene-3,4-Diol" + - compartment: "c" + - formula: "C20H18O2" + - charge: 0 + - inchis: "1/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3" + - !!omap + - id: "CN0022_r" + - name: "7,12-Dimethylbenz[A]Anthracene-3,4-Diol" + - compartment: "r" + - formula: "C20H18O2" + - charge: 0 + - inchis: "1/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3" + - !!omap + - id: "CN0023_c" + - name: "7,12-Dimethylbenz[A]Anthracene-3,4-Diol-1,2-Epoxide" + - compartment: "c" + - formula: "C20H18O3" + - charge: 0 + - inchis: "1/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3" + - !!omap + - id: "CN0023_r" + - name: "7,12-Dimethylbenz[A]Anthracene-3,4-Diol-1,2-Epoxide" + - compartment: "r" + - formula: "C20H18O3" + - charge: 0 + - inchis: "1/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3" + - !!omap + - id: "CN0016_c" + - name: "Dibenzo[A,L]Pyrene" + - compartment: "c" + - formula: "C24H14" + - charge: 0 + - inchis: "1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H" + - !!omap + - id: "CN0017_c" + - name: "Dibenzo[A,L]Pyrene-11,12-Epoxide" + - compartment: "c" + - formula: "C24H14O" + - charge: 0 + - inchis: "1S/C24H14O/c1-2-6-17-15(5-1)16-7-3-4-13-8-9-14-12-19-18(10-11-20-24(19)25-20)23(17)22(14)21(13)16/h1-12,20,24H" + - !!omap + - id: "CN0016_r" + - name: "Dibenzo[A,L]Pyrene" + - compartment: "r" + - formula: "C24H14" + - charge: 0 + - inchis: "1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H" + - !!omap + - id: "CN0017_r" + - name: "Dibenzo[A,L]Pyrene-11,12-Epoxide" + - compartment: "r" + - formula: "C24H14O" + - charge: 0 + - inchis: "1S/C24H14O/c1-2-6-17-15(5-1)16-7-3-4-13-8-9-14-12-19-18(10-11-20-24(19)25-20)23(17)22(14)21(13)16/h1-12,20,24H" + - !!omap + - id: "CN0018_c" + - name: "Dibenzo[A,L]Pyrene-11,12-Diol" + - compartment: "c" + - formula: "C24H16O2" + - charge: 0 + - inchis: "1S/C24H16O2/c25-20-11-10-18-19(24(20)26)12-14-9-8-13-4-3-7-16-15-5-1-2-6-17(15)23(18)22(14)21(13)16/h1-12,20,24-26H/t20-,24-/m1/s1" + - !!omap + - id: "CN0018_r" + - name: "Dibenzo[A,L]Pyrene-11,12-Diol" + - compartment: "r" + - formula: "C24H16O2" + - charge: 0 + - inchis: "1S/C24H16O2/c25-20-11-10-18-19(24(20)26)12-14-9-8-13-4-3-7-16-15-5-1-2-6-17(15)23(18)22(14)21(13)16/h1-12,20,24-26H/t20-,24-/m1/s1" + - !!omap + - id: "CN0019_c" + - name: "Dibenzo[A,L]Pyrene-11,12-Diol-13,14-Epoxide" + - compartment: "c" + - formula: "C24H14O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "CN0019_r" + - name: "Dibenzo[A,L]Pyrene-11,12-Diol-13,14-Epoxide" + - compartment: "r" + - formula: "C24H14O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02999c" + - name: "tiglyl-CoA" + - compartment: "c" + - formula: "C26H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00159c" + - name: "(R)-3-hydroxybutanoyl-CoA" + - compartment: "c" + - formula: "C25H38N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "adpac_c" + - name: "Adipic Acid" + - compartment: "c" + - formula: "C6H8O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "adpcoa_c" + - name: "Adipoyl Coenzyme A" + - compartment: "c" + - formula: "C27H39N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "adpac_p" + - name: "Adipic Acid" + - compartment: "p" + - formula: "C6H8O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "adpcoa_p" + - name: "Adipoyl Coenzyme A" + - compartment: "p" + - formula: "C27H39N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "c6dc_p" + - name: "Adipoyl Carnitine" + - compartment: "p" + - formula: "C13H22NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "3bcrn_c" + - name: "3-Hydroxy Butyryl Carnitine" + - compartment: "c" + - formula: "C11H21NO5" + - charge: 0 + - inchis: "1/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3" + - !!omap + - id: "3bcrn_s" + - name: "3-Hydroxy Butyryl Carnitine" + - compartment: "s" + - formula: "C11H21NO5" + - charge: 0 + - inchis: "1/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3" + - !!omap + - id: "c10crn_c" + - name: "Decanoyl Carnitine" + - compartment: "c" + - formula: "C17H33NO4" + - charge: 0 + - inchis: "1/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3" + - !!omap + - id: "c101coa_c" + - name: "Decenoyl Coenzyme A" + - compartment: "c" + - formula: "C31H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "c101crn_c" + - name: "Decenoyl Carnitine" + - compartment: "c" + - formula: "C17H31NO4" + - charge: 0 + - inchis: "1/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h5,15H,1,6-14H2,2-4H3" + - !!omap + - id: "c101crn_s" + - name: "Decenoyl Carnitine" + - compartment: "s" + - formula: "C17H31NO4" + - charge: 0 + - inchis: "1/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h5,15H,1,6-14H2,2-4H3" + - !!omap + - id: "decdicoa_c" + - name: "Decadienoyl Coenzyme A" + - compartment: "c" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "decdicrn_c" + - name: "Decadienoyl Carnitine" + - compartment: "c" + - formula: "C17H29NO4" + - charge: 0 + - inchis: "1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1" + - !!omap + - id: "c10crn_s" + - name: "Decanoyl Carnitine" + - compartment: "s" + - formula: "C17H33NO4" + - charge: 0 + - inchis: "1/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3" + - !!omap + - id: "c10dc_p" + - name: "Sebacoyl Carnitine" + - compartment: "p" + - formula: "C17H30NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c10dc_c" + - name: "Sebacoyl Carnitine" + - compartment: "c" + - formula: "C17H30NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "sebcoa_c" + - name: "Sebacoyl Coenzyme A" + - compartment: "c" + - formula: "C31H47N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "c10dc_s" + - name: "Sebacoyl Carnitine" + - compartment: "s" + - formula: "C17H30NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00181c" + - name: "(S)-hydroxydecanoyl-CoA" + - compartment: "c" + - formula: "C31H50N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3deccrn_c" + - name: "3-Hydroxydecanoylcarnitine" + - compartment: "c" + - formula: "C17H33NO5" + - charge: 0 + - inchis: "1/C17H33NO5/c1-5-6-7-8-9-10-14(19)13-17(22)23-15(18(2,3)4)11-12-16(20)21/h14-15,19H,5-13H2,1-4H3" + - !!omap + - id: "ddeccrn_c" + - name: "Lauroyl Carnitine" + - compartment: "c" + - formula: "C19H37NO4" + - charge: 0 + - inchis: "1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1" + - !!omap + - id: "m00042c" + - name: "(2E)-dodecenoyl-CoA" + - compartment: "c" + - formula: "C33H52N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "ddece1crn_c" + - name: "Dodecenoyl Carnitine" + - compartment: "c" + - formula: "C19H35NO4" + - charge: 0 + - inchis: "1/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(20(2,3)4)15-16-18(21)22/h10-11,17H,5-9,12-16H2,1-4H3/b11-10-" + - !!omap + - id: "c12dccoa_p" + - name: "Dodecanedioyl Coenzyme A" + - compartment: "p" + - formula: "C33H51N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "dodecanac_p" + - name: "Dodecanedioic Acid" + - compartment: "p" + - formula: "C12H20O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "c12dccoa_c" + - name: "Dodecanedioyl Coenzyme A" + - compartment: "c" + - formula: "C33H51N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "dodecanac_c" + - name: "Dodecanedioic Acid" + - compartment: "c" + - formula: "C12H20O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "c12dc_c" + - name: "Dodecanedioyl Carnitine" + - compartment: "c" + - formula: "C19H34NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c12dc_s" + - name: "Dodecanedioyl Carnitine" + - compartment: "s" + - formula: "C19H34NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00174c" + - name: "(S)-3-hydroxydodecanoyl-CoA" + - compartment: "c" + - formula: "C33H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3ddcrn_c" + - name: "3-Hydroxydodecanoylcarnitine" + - compartment: "c" + - formula: "C19H37NO5" + - charge: 0 + - inchis: "1/C19H37NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3" + - !!omap + - id: "3tetd7ecoa_m" + - name: "3-Hydroxy Tetradecenoyl-7 Coenzyme A" + - compartment: "m" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3tetd7ecoa_c" + - name: "3-Hydroxy Tetradecenoyl-7 Coenzyme A" + - compartment: "c" + - formula: "C35H56N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "tetdece1coa_c" + - name: "Tetradecenoyl Coenzyme A" + - compartment: "c" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "tetdece1crn_c" + - name: "Tetradecenoyl Carnitine" + - compartment: "c" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "1/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-" + - !!omap + - id: "3tetd7ecoacrn_c" + - name: "3-Hydroxy Tetradecenoyl-7-Carnitine" + - compartment: "c" + - formula: "C21H39NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "3tetd7ecoacrn_s" + - name: "3-Hydroxy Tetradecenoyl-7-Carnitine" + - compartment: "s" + - formula: "C21H39NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "3ttetddcoa_m" + - name: "3-Hydroxy Trans5,8Tetradecadienoyl Coenzyme A" + - compartment: "m" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3ttetddcoa_c" + - name: "3-Hydroxy Trans5,8Tetradecadienoyl Coenzyme A" + - compartment: "c" + - formula: "C35H54N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "tetdec2coa_c" + - name: "Tetradecadienoyl Coenzyme A" + - compartment: "c" + - formula: "C35H54N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "tetdec2crn_c" + - name: "Tetradecadienoyl Carnitine" + - compartment: "c" + - formula: "C21H37NO4" + - charge: 0 + - inchis: "1/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-15,19H,5-11,16-18H2,1-4H3/b13-12-,15-14+" + - !!omap + - id: "3ttetddcoacrn_c" + - name: "3-Hydroxy Trans5,8Tetradecadienoyl Carnitine" + - compartment: "c" + - formula: "C21H37NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "3ttetddcoacrn_s" + - name: "3-Hydroxy Trans5,8Tetradecadienoyl Carnitine" + - compartment: "s" + - formula: "C21H37NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00178c" + - name: "(S)-3-hydroxytetradecanoyl-CoA" + - compartment: "c" + - formula: "C35H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3tdcrn_c" + - name: "3-Hydroxy-Tetradecanoyl Carnitine" + - compartment: "c" + - formula: "C21H41NO5" + - charge: 0 + - inchis: "1/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3" + - !!omap + - id: "3hdeccoa_c" + - name: "3-Hydroxyhexadecenoyl Coenzyme A" + - compartment: "c" + - formula: "C37H60N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3hdececrn_c" + - name: "3-Hydroxyhexadecenoylcarnitine" + - compartment: "c" + - formula: "C23H43NO5" + - charge: 0 + - inchis: "1S/C23H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h10-11,20-21,25H,5-9,12-19H2,1-4H3/b11-10+/t20?,21-/m0/s1" + - !!omap + - id: "3thexddcoa_m" + - name: "3-Hydroxy Trans7,10-Hexadecadienoyl Coenzyme A" + - compartment: "m" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3thexddcoa_c" + - name: "3-Hydroxy Trans7,10-Hexadecadienoyl Coenzyme A" + - compartment: "c" + - formula: "C37H58N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3thexddcoacrn_c" + - name: "3-Hydroxy Trans7,10-Hexadecadienoyl Carnitine" + - compartment: "c" + - formula: "C23H41NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "3thexddcoacrn_s" + - name: "3-Hydroxy Trans7,10-Hexadecadienoyl Carnitine" + - compartment: "s" + - formula: "C23H41NO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "hexdicoa_c" + - name: "Hexadecanedioyl Coenzyme A" + - compartment: "c" + - formula: "C37H59N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "c16dc_c" + - name: "Hexadecanedioic Acid Mono-L-Carnitine Ester" + - compartment: "c" + - formula: "C23H42NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c16dc_s" + - name: "Hexadecanedioic Acid Mono-L-Carnitine Ester" + - compartment: "s" + - formula: "C23H42NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hexdcoa_c" + - name: "3-Hydroxyhexadecanoyl Coenzyme A" + - compartment: "c" + - formula: "C37H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3hexdcrn_c" + - name: "3-Hydroxyhexadecanoylcarnitine" + - compartment: "c" + - formula: "C23H45NO5" + - charge: 0 + - inchis: "1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h20-21,25H,5-19H2,1-4H3/t20?,21-/m0/s1" + - !!omap + - id: "3octdece1coa_c" + - name: "3-Hydroxyoctadecenoyl Coenzyme A" + - compartment: "c" + - formula: "C39H64N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3octdece1crn_c" + - name: "3-Hydroxy-Octadecenoyl Carnitine" + - compartment: "c" + - formula: "C25H47NO5" + - charge: 0 + - inchis: "1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1" + - !!omap + - id: "3ocddcoa_c" + - name: "3-Hydroxyoctadecadienoyl Coenzyme A" + - compartment: "c" + - formula: "C39H62N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3octdec2crn_c" + - name: "3-Hydroxyoctadecadienoylcarnitine" + - compartment: "c" + - formula: "C25H45NO5" + - charge: 0 + - inchis: "1/C25H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h9-10,12-13,22-23,27H,5-8,11,14-21H2,1-4H3" + - !!omap + - id: "3hodcoa_c" + - name: "(S)-3-Hydroxyoctadecanoyl Coenzyme A" + - compartment: "c" + - formula: "C39H66N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3octdeccrn_c" + - name: "3-Hydroxyoctadecanoyl Carnitine" + - compartment: "c" + - formula: "C25H49NO5" + - charge: 0 + - inchis: "1/C25H49NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h22-23,27H,5-21H2,1-4H3" + - !!omap + - id: "c3dc_c" + - name: "Malonyl Carnitine" + - compartment: "c" + - formula: "C10H16NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c3dc_s" + - name: "Malonyl Carnitine" + - compartment: "s" + - formula: "C10H16NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02635s" + - name: "O-butanoylcarnitine" + - compartment: "s" + - formula: "C11H21NO4" + - charge: 0 + - inchis: "1/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3" + - !!omap + - id: "c4dc_p" + - name: "Succinyl Carnitine" + - compartment: "p" + - formula: "C11H18NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c4dc_c" + - name: "Succinyl Carnitine" + - compartment: "c" + - formula: "C11H18NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c4dc_s" + - name: "Succinyl Carnitine" + - compartment: "s" + - formula: "C11H18NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02635p" + - name: "O-butanoylcarnitine" + - compartment: "p" + - formula: "C11H21NO4" + - charge: 0 + - inchis: "1/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3" + - !!omap + - id: "m02189c" + - name: "isovaleryl-CoA" + - compartment: "c" + - formula: "C26H40N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "ivcrn_c" + - name: "Isovaleryl Carnitine" + - compartment: "c" + - formula: "C12H23NO4" + - charge: 0 + - inchis: "1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3" + - !!omap + - id: "c51crn_c" + - name: "Tiglyl Carnitine" + - compartment: "c" + - formula: "C12H21NO4" + - charge: 0 + - inchis: "1/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+" + - !!omap + - id: "c5dc_c" + - name: "Glutaryl Carnitine" + - compartment: "c" + - formula: "C12H21NO6" + - charge: 0 + - inchis: "1S/C12H21NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h9H,4-8H2,1-3H3,(H-,14,15,16,17)/t9-/m0/s1" + - !!omap + - id: "c5dc_s" + - name: "Glutaryl Carnitine" + - compartment: "s" + - formula: "C12H21NO6" + - charge: 0 + - inchis: "1S/C12H21NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h9H,4-8H2,1-3H3,(H-,14,15,16,17)/t9-/m0/s1" + - !!omap + - id: "c6crn_c" + - name: "Hexanoyl Carnitine" + - compartment: "c" + - formula: "C13H25NO4" + - charge: 0 + - inchis: "1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3" + - !!omap + - id: "c6crn_p" + - name: "Hexanoyl Carnitine" + - compartment: "p" + - formula: "C13H25NO4" + - charge: 0 + - inchis: "1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3" + - !!omap + - id: "c6crn_s" + - name: "Hexanoyl Carnitine" + - compartment: "s" + - formula: "C13H25NO4" + - charge: 0 + - inchis: "1/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3" + - !!omap + - id: "c6dc_c" + - name: "Adipoyl Carnitine" + - compartment: "c" + - formula: "C13H22NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c6dc_s" + - name: "Adipoyl Carnitine" + - compartment: "s" + - formula: "C13H22NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c81coa_c" + - name: "Octenoyl Coenzyme A" + - compartment: "c" + - formula: "C29H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "c81crn_c" + - name: "Octenoyl Carnitine" + - compartment: "c" + - formula: "C15H27NO4" + - charge: 0 + - inchis: "1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1" + - !!omap + - id: "c81crn_s" + - name: "Octenoyl Carnitine" + - compartment: "s" + - formula: "C15H27NO4" + - charge: 0 + - inchis: "1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1" + - !!omap + - id: "m02409s" + - name: "L-octanoylcarnitine" + - compartment: "s" + - formula: "C15H29NO4" + - charge: 0 + - inchis: "1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1" + - !!omap + - id: "sbcoa_c" + - name: "Suberyl Coenzyme A" + - compartment: "c" + - formula: "C29H43N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "c8dc_c" + - name: "Suberyl Carnitine" + - compartment: "c" + - formula: "C15H26NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "c8dc_s" + - name: "Suberyl Carnitine" + - compartment: "s" + - formula: "C15H26NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01648r" + - name: "decanoic acid" + - compartment: "r" + - formula: "C10H19O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "3ddcrn_s" + - name: "3-Hydroxydodecanoylcarnitine" + - compartment: "s" + - formula: "C19H37NO5" + - charge: 0 + - inchis: "1/C19H37NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3" + - !!omap + - id: "ddeccrn_s" + - name: "Lauroyl Carnitine" + - compartment: "s" + - formula: "C19H37NO4" + - charge: 0 + - inchis: "1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1" + - !!omap + - id: "ddece1crn_s" + - name: "Dodecenoyl Carnitine" + - compartment: "s" + - formula: "C19H35NO4" + - charge: 0 + - inchis: "1/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(20(2,3)4)15-16-18(21)22/h10-11,17H,5-9,12-16H2,1-4H3/b11-10-" + - !!omap + - id: "3deccrn_s" + - name: "3-Hydroxydecanoylcarnitine" + - compartment: "s" + - formula: "C17H33NO5" + - charge: 0 + - inchis: "1/C17H33NO5/c1-5-6-7-8-9-10-14(19)13-17(22)23-15(18(2,3)4)11-12-16(20)21/h14-15,19H,5-13H2,1-4H3" + - !!omap + - id: "decdicrn_s" + - name: "Decadienoyl Carnitine" + - compartment: "s" + - formula: "C17H29NO4" + - charge: 0 + - inchis: "1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1" + - !!omap + - id: "doco13ecoa_c" + - name: "13-Docosenoyl Coenzyme A" + - compartment: "c" + - formula: "C43H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "doco13ecoa_p" + - name: "13-Docosenoyl Coenzyme A" + - compartment: "p" + - formula: "C43H72N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "docosdiac_r" + - name: "Docosanedioicacid" + - compartment: "r" + - formula: "C22H40O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "docosdiac_c" + - name: "Docosanedioicacid" + - compartment: "c" + - formula: "C22H40O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "docosdiac_s" + - name: "Docosanedioicacid" + - compartment: "s" + - formula: "C22H40O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "3hdececrn_s" + - name: "3-Hydroxyhexadecenoylcarnitine" + - compartment: "s" + - formula: "C23H43NO5" + - charge: 0 + - inchis: "1S/C23H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h10-11,20-21,25H,5-9,12-19H2,1-4H3/b11-10+/t20?,21-/m0/s1" + - !!omap + - id: "3hexdcrn_s" + - name: "3-Hydroxyhexadecanoylcarnitine" + - compartment: "s" + - formula: "C23H45NO5" + - charge: 0 + - inchis: "1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h20-21,25H,5-19H2,1-4H3/t20?,21-/m0/s1" + - !!omap + - id: "3ivcrn_s" + - name: "3-Hydroxy-Isovaleryl Carnitine" + - compartment: "s" + - formula: "C12H23NO5" + - charge: 0 + - inchis: "1/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3" + - !!omap + - id: "3octdec2crn_s" + - name: "3-Hydroxyoctadecadienoylcarnitine" + - compartment: "s" + - formula: "C25H45NO5" + - charge: 0 + - inchis: "1/C25H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h9-10,12-13,22-23,27H,5-8,11,14-21H2,1-4H3" + - !!omap + - id: "3octdeccrn_s" + - name: "3-Hydroxyoctadecanoyl Carnitine" + - compartment: "s" + - formula: "C25H49NO5" + - charge: 0 + - inchis: "1/C25H49NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h22-23,27H,5-21H2,1-4H3" + - !!omap + - id: "3octdece1crn_s" + - name: "3-Hydroxy-Octadecenoyl Carnitine" + - compartment: "s" + - formula: "C25H47NO5" + - charge: 0 + - inchis: "1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1" + - !!omap + - id: "3tdcrn_s" + - name: "3-Hydroxy-Tetradecanoyl Carnitine" + - compartment: "s" + - formula: "C21H41NO5" + - charge: 0 + - inchis: "1/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3" + - !!omap + - id: "c51crn_s" + - name: "Tiglyl Carnitine" + - compartment: "s" + - formula: "C12H21NO4" + - charge: 0 + - inchis: "1/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+" + - !!omap + - id: "ivcrn_s" + - name: "Isovaleryl Carnitine" + - compartment: "s" + - formula: "C12H23NO4" + - charge: 0 + - inchis: "1/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3" + - !!omap + - id: "tetdec2crn_s" + - name: "Tetradecadienoyl Carnitine" + - compartment: "s" + - formula: "C21H37NO4" + - charge: 0 + - inchis: "1/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-15,19H,5-11,16-18H2,1-4H3/b13-12-,15-14+" + - !!omap + - id: "tetdece1crn_s" + - name: "Tetradecenoyl Carnitine" + - compartment: "s" + - formula: "C21H39NO4" + - charge: 0 + - inchis: "1/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-" + - !!omap + - id: "dec47dicoa_m" + - name: "4,7-Decadienoyl Coenzyme A" + - compartment: "m" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "dectricoa_m" + - name: "2,4,7-Decatrienoyl Coenzyme A" + - compartment: "m" + - formula: "C31H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "dec47dicoa_p" + - name: "4,7-Decadienoyl Coenzyme A" + - compartment: "p" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "dectricoa_p" + - name: "2,4,7-Decatrienoyl Coenzyme A" + - compartment: "p" + - formula: "C31H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "2decdicoa_m" + - name: "2,7-Decadienoyl Coenzyme A" + - compartment: "m" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "octe5coa_m" + - name: "5-Octenoyl Coenzyme A" + - compartment: "m" + - formula: "C29H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "2decdicoa_p" + - name: "2,7-Decadienoyl Coenzyme A" + - compartment: "p" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "octe5coa_p" + - name: "5-Octenoyl Coenzyme A" + - compartment: "p" + - formula: "C29H44N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3decdicoa_m" + - name: "3,7-Decadienoyl Coenzyme A" + - compartment: "m" + - formula: "C31H46N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3decdicoa_p" + - name: "3,7-Decadienoyl Coenzyme A" + - compartment: "p" + - formula: "C31H46N7O17P3S" + - 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+ - charge: 0 + - inchis: "1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1" + - !!omap + - id: "alaala_c" + - name: "D-Alanyl-D-Alanine" + - compartment: "c" + - formula: "C6H12N2O3" + - charge: 0 + - inchis: "1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1" + - !!omap + - id: "alaala_s" + - name: "D-Alanyl-D-Alanine" + - compartment: "s" + - formula: "C6H12N2O3" + - charge: 0 + - inchis: "1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1" + - !!omap + - id: "bglc_s" + - name: "Beta-Glucans" + - compartment: "s" + - formula: "C1200000H2200000O1100000" + - charge: 0 + - inchis: "" + - !!omap + - id: "glgchlo_s" + - name: "Beta Glucan-Glycocholate Complex" + - compartment: "s" + - formula: "C1200026H2200043NO1100006" + - charge: 0 + - inchis: "" + - !!omap + - id: "gltcho_s" + - name: "Beta Glucan-Taurocholic Acid Complex" + - compartment: "s" + - formula: "C1200026H2200045NO1100007S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02964s" + - name: "taurodeoxycholate" + - compartment: "s" + - formula: "C26H44NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gltdechol_s" + - name: "Beta Glucan-Taurodeoxycholic Acid Complex" + - compartment: "s" + - formula: "C1200026H2200044NO1100006S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01423s" + - name: "carnosine" + - compartment: "s" + - formula: "C9H14N4O3" + - charge: 0 + - inchis: "1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1" + - !!omap + - id: "m01600c" + - name: "cobamide-coenzyme" + - compartment: "c" + - formula: "C72H100CoN18O17P" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01600s" + - name: "cobamide-coenzyme" + - compartment: "s" + - formula: "C72H100CoN18O17P" + - charge: 0 + - inchis: "" + - !!omap + - id: "glygly_c" + - name: "Glycyl-Glycine" + - compartment: "c" + - formula: "C4H8N2O3" + - charge: 0 + - inchis: "1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)" + - !!omap + - id: "glygly_s" + - name: "Glycyl-Glycine" + - compartment: "s" + - formula: "C4H8N2O3" + - charge: 0 + - inchis: "1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)" + - !!omap + - id: "glyphe_s" + - name: "Glycyl-Phenylalanine" + - compartment: "s" + - formula: "C11H14N2O3" + - charge: 0 + - inchis: "1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)" + - !!omap + - id: "glyphe_c" + - name: "Glycyl-Phenylalanine" + - compartment: "c" + - formula: "C11H14N2O3" + - charge: 0 + - inchis: "1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)" + - !!omap + - id: "glypro_s" + - name: "Glycylproline" + - compartment: "s" + - formula: "C7H12N2O3" + - charge: 0 + - inchis: "1/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/s2" + - !!omap + - id: "glypro_c" + - name: "Glycylproline" + - compartment: "c" + - formula: "C7H12N2O3" + - charge: 0 + - inchis: "1/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/s2" + - !!omap + - id: "glysar_c" + - name: "Glycylsarcosine" + - compartment: "c" + - formula: "C5H10N2O3" + - charge: 0 + - inchis: "1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)" + - !!omap + - id: "glysar_s" + - name: "Glycylsarcosine" + - compartment: "s" + - formula: "C5H10N2O3" + - charge: 0 + - inchis: "1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)" + - !!omap + - id: "m00745s" + - name: "3alpha,12alpha-dihydroxy-5beta-cholanate" + - compartment: "s" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "gum_s" + - name: "Gums" + - compartment: "s" + - formula: "C2760000H5060000O2530000" + - charge: 0 + - inchis: "" + - !!omap + - id: "gumdchac_s" + - name: "Guar Gum-Deoxyxholic Acid Complex" + - compartment: "s" + - formula: "C2760024H5060039O2530004" + - charge: -1 + - inchis: "" + - !!omap + - id: "gumgchol_s" + - name: "Guar Gum-Glycocholate Complex" + - compartment: "s" + - formula: "C2760026H5060043NO2530006" + - charge: 0 + - inchis: "" + - !!omap + - id: "gumtchol_s" + - name: "Guar Gum-Taurocholic Acid Complex" + - compartment: "s" + - formula: "C2760026H5060045NO2530007S" + - charge: 0 + - inchis: "" + - !!omap + - id: "leugly_s" + - name: "Leucyl-Glycine" + - compartment: "s" + - formula: "C8H16N2O3" + - charge: 0 + - inchis: "1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1" + - !!omap + - id: "leugly_c" + - name: "Leucyl-Glycine" + - compartment: "c" + - formula: "C8H16N2O3" + - charge: 0 + - inchis: "1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1" + - !!omap + - id: "leuleu_c" + - name: "Leucylleucine" + - compartment: "c" + - formula: "C12H24N2O3" + - charge: 0 + - inchis: "1/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)" + - !!omap + - id: "leuleu_s" + - name: "Leucylleucine" + - compartment: "s" + - formula: "C12H24N2O3" + - charge: 0 + - inchis: "1/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)" + - !!omap + - id: "pect_s" + - name: "Pectin" + - compartment: "s" + - formula: "C2535H3509O2535" + - charge: -1 + - inchis: "" + - !!omap + - id: "pectindchac_s" + - name: "Pectin-Deoxycholic Acid Complex" + - compartment: "s" + - formula: "C2559H3549O2539" + - charge: -1 + - inchis: "" + - !!omap + - id: "pectingchol_s" + - name: "Pectin-Glycocholate Complex" + - compartment: "s" + - formula: "C2561H3553NO2541" + - charge: 0 + - inchis: "" + - !!omap + - id: "pectintchol_s" + - name: "Pectin-Taurocholic Acid Complex" + - compartment: "s" + - formula: "C2561H3555NO2542S" + - charge: 0 + - inchis: "" + - !!omap + - id: "progly_s" + - name: "L-Prolinylglycine" + - compartment: "s" + - formula: "C7H12N2O3" + - charge: 0 + - inchis: "1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1" + - !!omap + - id: "progly_c" + - name: "L-Prolinylglycine" + - compartment: "c" + - formula: "C7H12N2O3" + - charge: 0 + - inchis: "1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1" + - !!omap + - id: "psyl_s" + - name: "Psyllium" + - compartment: "s" + - formula: "C9642006H15428700O8667414" + - charge: 0 + - inchis: "" + - !!omap + - id: "psylchol_s" + - name: "Psillium-Glycocholic Acid Complex" + - compartment: "s" + - formula: "C9642032H15428743NO8667420" + - charge: 0 + - inchis: "" + - !!omap + - id: "psyltchol_s" + - name: "Psyllium-Taurocholic Acid Complex" + - compartment: "s" + - formula: "C9642032H15428745NO8667421S" + - charge: 0 + - inchis: "" + - !!omap + - id: "psyltdechol_s" + - name: "Psyllium-Taurodeoxycholic Acid Complex" + - compartment: "s" + - formula: "C9642032H15428744NO8667420S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01417n" + - name: "calcitriol" + - compartment: "n" + - formula: "C27H44O3" + - charge: 0 + - inchis: "1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1" + - !!omap + - id: "m00970n" + - name: "4-aminobutyrate" + - compartment: "n" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)" + - !!omap + - id: "m02157s" + - name: "hypotaurine" + - compartment: "s" + - formula: "C2H7NO2S" + - charge: 0 + - inchis: "1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)" + - !!omap + - id: "m01627s" + - name: "cysteamine" + - compartment: "s" + - formula: "C2H8NS" + - charge: 1 + - inchis: "" + - !!omap + - id: "m03103s" + - name: "ubiquinone" + - compartment: "s" + - formula: "C59H90O4" + - charge: 0 + - inchis: "1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+" + - !!omap + - id: "m01674s" + - name: "dephospho-CoA" + - compartment: "s" + - formula: "C21H33N7O13P2S" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02741s" + - name: "phosphopantetheine" + - compartment: "s" + - formula: "C11H21N2O7PS" + - charge: -2 + - inchis: "" + - !!omap + - id: "slfcys_s" + - name: "S-Sulfo-L-Cysteine" + - compartment: "s" + - formula: "C3H8NO5S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01828s" + - name: "FMN" + - compartment: "s" + - formula: "C17H19N4O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02679s" + - name: "pantetheine" + - compartment: "s" + - formula: "C11H22N2O4S" + - charge: 0 + - inchis: "1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1" + - !!omap + - id: "m03102s" + - name: "ubiquinol" + - compartment: "s" + - formula: "C59H92O4" + - charge: 0 + - inchis: "1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+" + - !!omap + - id: "m02439p" + - name: "malate" + - compartment: "p" + - formula: "C4H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "slfcys_c" + - name: "S-Sulfo-L-Cysteine" + - compartment: "c" + - formula: "C3H8NO5S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01005s" + - name: "4-hydroxyphenylpyruvate" + - compartment: "s" + - formula: "C9H7O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00824s" + - name: "3-methyl-2-oxobutyrate" + - compartment: "s" + - formula: "C5H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00669s" + - name: "2-oxo-3-methylvalerate" + - compartment: "s" + - formula: "C6H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01013s" + - name: "4-methyl-2-oxopentanoate" + - compartment: "s" + - formula: "C6H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01116s" + - name: "5-methylthioadenosine" + - compartment: "s" + - formula: "C11H15N5O3S" + - charge: 0 + - inchis: "1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1" + - !!omap + - id: "m01127s" + - name: "5-oxoproline" + - compartment: "s" + - formula: "C5H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02871s" + - name: "SAH" + - compartment: "s" + - formula: "C14H20N6O5S" + - charge: 0 + - inchis: "1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/s2" + - !!omap + - id: "m01304s" + - name: "AICAR" + - compartment: "s" + - formula: "C9H13N4O8P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01342s" + - name: "anthranilate" + - compartment: "s" + - formula: "C7H6NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02559s" + - name: "N-carbamoyl-L-aspartate" + - compartment: "s" + - formula: "C5H6N2O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02439s" + - name: "malate" + - compartment: "s" + - formula: "C4H4O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01103s" + - name: "5-hydroxyindoleacetate" + - compartment: "s" + - formula: "C10H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01981s" + - name: "glyceraldehyde" + - compartment: "s" + - formula: "C3H6O3" + - charge: 0 + - inchis: "1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1" + - !!omap + - id: "m02696s" + - name: "PEP" + - compartment: "s" + - formula: "C3H2O6P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02036s" + - name: "guanidinoacetate" + - compartment: "s" + - formula: "C3H7N3O2" + - charge: 0 + - inchis: "1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)" + - !!omap + - id: "m02319s" + - name: "kynurenine" + - compartment: "s" + - formula: "C10H12N2O3" + - charge: 0 + - inchis: "1/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/s2" + - !!omap + - id: "m00923s" + - name: "3-ureidopropionate" + - compartment: "s" + - formula: "C4H7N2O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00990s" + - name: "4-hydroxy-2-quinolinecarboxylic acid" + - compartment: "s" + - formula: "C10H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00775s" + - name: "3-hydroxyanthranilate" + - compartment: "s" + - formula: "C7H7NO3" + - charge: 0 + - inchis: "1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)" + - !!omap + - id: "m00788s" + - name: "3-hydroxy-L-kynurenine" + - compartment: "s" + - formula: "C10H12N2O4" + - charge: 0 + - inchis: "1/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/s2" + - !!omap + - id: "m02822s" + - name: "quinolinate" + - compartment: "s" + - formula: "C7H3NO4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00674s" + - name: "2-phospho-D-glycerate" + - compartment: "s" + - formula: "C3H4O7P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02738s" + - name: "phosphocholine" + - compartment: "s" + - formula: "C5H13NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02349s" + - name: "L-cystathionine" + - compartment: "s" + - formula: "C7H14N2O4S" + - charge: 0 + - inchis: "1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1" + - !!omap + - id: "m01644s" + - name: "dCMP" + - compartment: "s" + - formula: "C9H12N3O7P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01708s" + - name: "dimethylglycine" + - compartment: "s" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)" + - !!omap + - id: "m01798s" + - name: "ethanolamine-phosphate" + - compartment: "s" + - formula: "C2H7NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01862s" + - name: "fumarate" + - compartment: "s" + - formula: "C4H2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02912s" + - name: "sn-glycerol-3-PC" + - compartment: "s" + - formula: "C8H20NO6P" + - charge: 0 + - inchis: "1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1" + - !!omap + - id: "m02183s" + - name: "isocitrate" + - compartment: "s" + - formula: "C6H5O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02322s" + - name: "L-2-aminoadipate" + - compartment: "s" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03148s" + - name: "xanthine" + - compartment: "s" + - formula: "C5H4N4O2" + - charge: 0 + - inchis: "1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)" + - !!omap + - id: "m03150s" + - name: "xanthosine-5-phosphate" + - compartment: "s" + - formula: "C10H11N4O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03149s" + - name: "xanthosine" + - compartment: "s" + - formula: "C10H12N4O6" + - charge: 0 + - inchis: "1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1" + - !!omap + - id: "m00913s" + - name: "3-phospho-D-glycerate" + - compartment: "s" + - formula: "C3H4O7P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m03109s" + - name: "UDP-glucuronate" + - compartment: "s" + - formula: "C15H19N2O18P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02914s" + - name: "sn-glycerol-3-phosphate" + - compartment: "s" + - formula: "C3H7O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02585s" + - name: "nicotinate ribonucleotide" + - compartment: "s" + - formula: "C11H12NO9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02660s" + - name: "orotidine-5-phosphate" + - compartment: "s" + - formula: "C10H10N2O11P" + - charge: -3 + - inchis: "" + - !!omap + - id: "m02133s" + - name: "homocysteine" + - compartment: "s" + - formula: "C4H9NO2S" + - charge: 0 + - inchis: "1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1" + - !!omap + - id: "m02832s" + - name: "retinal" + - compartment: "s" + - formula: "C20H28O" + - charge: 0 + - inchis: "1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3" + - !!omap + - id: "m01366s" + - name: "argininosuccinate" + - compartment: "s" + - formula: "C10H17N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02634s" + - name: "O-acetylcarnitine" + - compartment: "s" + - formula: "C9H17NO4" + - charge: 0 + - inchis: "1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1" + - !!omap + - id: "m02657s" + - name: "O-propanoylcarnitine" + - compartment: "s" + - formula: "C10H19NO4" + - charge: 0 + - inchis: "1/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3" + - !!omap + - id: "m00105s" + - name: "(6Z,9Z)-octadecadienoylcarnitine" + - compartment: "s" + - formula: "C25H45NO4" + - charge: 0 + - inchis: "1/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+" + - !!omap + - id: "m02639s" + - name: "octadecenoylcarnitine(5)" + - compartment: "s" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/t23-/m0/s1" + - !!omap + - id: "m02940s" + - name: "stearoylcarnitine" + - compartment: "s" + - formula: "C25H49NO4" + - charge: 0 + - inchis: "1/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3" + - !!omap + - id: "m02411s" + - name: "L-palmitoylcarnitine" + - compartment: "s" + - formula: "C23H45NO4" + - charge: 0 + - inchis: "1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1" + - !!omap + - id: "m02676s" + - name: "palmitoleoyl-carnitine" + - compartment: "s" + - formula: "C23H43NO4" + - charge: 0 + - inchis: "1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h10-11,21H,5-9,12-20H2,1-4H3/b11-10-/t21-/m1/s1" + - !!omap + - id: "m01620s" + - name: "creatine-phosphate" + - compartment: "s" + - formula: "C4H8N3O5P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01580s" + - name: "cis-aconitate" + - compartment: "s" + - formula: "C6H3O6" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01372s" + - name: "azelaic acid" + - compartment: "s" + - formula: "C9H14O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02123s" + - name: "hippurate" + - compartment: "s" + - formula: "C9H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "alpa_hs_p" + - name: "Lysophosphatidic Acid" + - compartment: "p" + - formula: "C3H6O5PRCO2" + - charge: -2 + - inchis: "" + - !!omap + - id: "15kprostgf2_c" + - name: "15-Keto-Prostaglandin F2A" + - compartment: "c" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "adpoh_c" + - name: "2-Hydroxyadipic Acid" + - compartment: "c" + - formula: "C6H8O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "phlac_c" + - name: "Phenyllactate" + - compartment: "c" + - formula: "C9H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "and19one_c" + - name: "19-Hydroxyandrost-4-Ene-3,17-Dione" + - compartment: "c" + - formula: "C19H26O3" + - charge: 0 + - inchis: "1/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14?,15?,16?,18-,19+/s2" + - !!omap + - id: "ttdceacoa_c" + - name: "Tetradecenoyl Coenzyme A (N-C14:1)" + - compartment: "c" + - formula: "C35H56N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "21hprgnlone_c" + - name: "21-Hydroxypregnenolone" + - compartment: "c" + - formula: "C21H32O3" + - charge: 0 + - inchis: "1/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15?,16?,17?,18+,20-,21-/s2" + - !!omap + - id: "3mhis_c" + - name: "3-Methylhistidine" + - compartment: "c" + - formula: "C7H11N3O2" + - charge: 0 + - inchis: "1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1" + - !!omap + - id: "hmcr_c" + - name: "Homocitrulline" + - compartment: "c" + - formula: "C7H15N3O3" + - charge: 0 + - inchis: "1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1" + - !!omap + - id: "phacgly_c" + - name: "Phenylacetylglycine_phacgly" + - compartment: "c" + - formula: "C10H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "pcholmyr_hs_s" + - name: "1-Myristoylglycerophosphocholine" + - compartment: "s" + - formula: "C22H47NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholole_hs_s" + - name: "1-Oleoylglycerophosphocholine (Delta 9)" + - compartment: "s" + - formula: "C26H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "peole_hs_s" + - name: "1-Oleoylglycerophosphoethanolamine (Delta 9)" + - compartment: "s" + - formula: "C23H46NO7P" + - charge: 0 + - inchis: "1/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9+" + - !!omap + - id: "pcholpalme_hs_s" + - name: "1-Palmitoleoylglycerophosphocholine (Delta 9)" + - compartment: "s" + - formula: "C24H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholpalm_hs_s" + - name: "1-Palmitoylglycerophosphocholine" + - compartment: "s" + - formula: "C24H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pepalm_hs_s" + - name: "1-Palmitoylglycerophosphoethanolamine" + - compartment: "s" + - formula: "C21H44NO7P" + - charge: 0 + - inchis: "1/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)" + - !!omap + - id: "m02750s" + - name: "PI pool" + - compartment: "s" + - formula: "C11H16O13PR2" + - charge: -1 + - inchis: "" + - !!omap + - id: "pailpalm_hs_s" + - name: "1-Palmitoylglycerophosphoinositol" + - compartment: "s" + - formula: "C25H48O12P" + - charge: -1 + - inchis: "" + - !!omap + - id: "pcholste_hs_s" + - name: "1-Stearoylglycerophosphocholine" + - compartment: "s" + - formula: "C26H55NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "peste_hs_s" + - name: "1-Stearoylglycerophosphoethanolamine" + - compartment: "s" + - formula: "C23H48NO7P" + - charge: 0 + - inchis: "1/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/s2" + - !!omap + - id: "pailste_hs_s" + - name: "1-Stearoylglycerophosphoinositol" + - compartment: "s" + - formula: "C27H52O12P" + - charge: -1 + - inchis: "" + - !!omap + - id: "pchol2linl_hs_s" + - name: "2-Linoleoylglycerophosphocholine" + - compartment: "s" + - formula: "C26H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pe2linl_hs_s" + - name: "2-Linoleoylglycerophosphoethanolamine" + - compartment: "s" + - formula: "C23H44NO7P" + - charge: 0 + - inchis: "1/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/s2" + - !!omap + - id: "pchol2ole_hs_s" + - name: "2-Oleoylglycerophosphocholine" + - compartment: "s" + - formula: "C26H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pchol2palm_hs_s" + - name: "2-Palmitoylglycerophosphocholine" + - compartment: "s" + - formula: "C24H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pchol2ste_hs_s" + - name: "2-Stearoylglycerophosphocholine" + - compartment: "s" + - formula: "C26H55NO7P" + - charge: 0 + - inchis: "1/C26H55NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3,(H,30,31)" + - !!omap + - id: "xolest183_hs_s" + - name: "1-Gamma-Linolenoyl-Cholesterol, Cholesterol-Ester (18:3, Delta 6, 9, 12)" + - compartment: "s" + - formula: "C45H74O2" + - charge: 0 + - inchis: "1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,17-18,26,35-36,38-42H,7-10,13,16,19-25,27-34H2,1-6H3/b12-11-,15-14-,18-17-/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1" + - !!omap + - id: "xolest181_hs_s" + - name: "1-Vaccenoyl-Cholesterol, Cholesterol-Ester (18:1, Delta 11)" + - compartment: "s" + - formula: "C45H78O2" + - charge: 0 + - inchis: "1/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h12-13,26,35-36,38-42H,7-11,14-25,27-34H2,1-6H3/b13-12+/t36-,38+,39+,40-,41+,42+,44+,45-/s2" + - !!omap + - id: "xolest205_hs_s" + - name: "1-Timnodnoyl-Cholesterol, Cholesterol-Ester (20:5, Delta 5,8,11,14,17)" + - compartment: "s" + - formula: "C47H74O2" + - charge: 0 + - inchis: "1/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/s2" + - !!omap + - id: "xolest204_hs_s" + - name: "Cholesteryl Arachidonate, Cholesterol-Ester (20:4, Delta 5,8,11,14)" + - compartment: "s" + - formula: "C47H76O2" + - charge: 0 + - inchis: "1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1" + - !!omap + - id: "xolest226_hs_s" + - name: "Cholesteryl Docosahexanoate, Cholesterol-Ester (22:6, Delta 4,7,10,13,16,19)" + - compartment: "s" + - formula: "C49H76O2" + - charge: 0 + - inchis: "1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8+,12-11+,15-14+,18-17+,21-20+,24-23-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1" + - !!omap + - id: "pcholn15_hs_s" + - name: "1-Pentadecanoylglycerophosphocholine, Sn1-Lpc (15:0)" + - compartment: "s" + - formula: "C23H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholar_hs_s" + - name: "1-Arachidonoyl-Glycero-3-Phosphocholine" + - compartment: "s" + - formula: "C28H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn183_hs_s" + - name: "1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 9, 12, 15)" + - compartment: "s" + - formula: "C26H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn1836_hs_s" + - name: "1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 6, 9, 12)" + - compartment: "s" + - formula: "C26H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn19_hs_s" + - name: "1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0)" + - compartment: "s" + - formula: "C27H57NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn201_hs_s" + - name: "1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1)" + - compartment: "s" + - formula: "C28H57NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn204_hs_s" + - name: "1-Eicosatetraenoylglycerophosphocholine (Delta 8, 11, 14, 17), Sn1-Lpc (20:4)" + - compartment: "s" + - formula: "C28H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn205_hs_s" + - name: "1-Eicosapentenoylglycerophosphocholine (Delta 5, 8, 11, 14, 17), Sn1-Lpc (20:5)" + - compartment: "s" + - formula: "C28H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn224_hs_s" + - name: "1-Docosatetraenoylglycerophosphocholine (Delta 7, 10, 13, 16), Sn1-Lpc (22:4)" + - compartment: "s" + - formula: "C30H55NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn225_hs_s" + - name: "1-Docosapentenoylglycerophosphocholine (Delta 7, 10, 13, 16, 19), Sn1-Lpc (22:5)-W3" + - compartment: "s" + - formula: "C30H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn2254_hs_s" + - name: "1-Docosapentenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16), Sn1-Lpc (22:5)-W6" + - compartment: "s" + - formula: "C30H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: 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compartment: "s" + - formula: "C28H55NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholet_hs_s" + - name: "1-Eicosatrienoylglycerophosphocholine (Delta 11, 14, 17)" + - compartment: "s" + - formula: "C28H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholhep_hs_s" + - name: "1-Heptadecanoylglycerophosphocholine" + - compartment: "s" + - formula: "C25H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pchollinl_hs_s" + - name: "1-Linoleoylglycerophosphocholine (Delta 9,12)" + - compartment: "s" + - formula: "C26H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pelinl_hs_s" + - name: "1-Linoleoylglycerophosphoethanolamine (Delta 9,12)" + - compartment: "s" + - formula: "C23H44NO7P" + - charge: 0 + - inchis: "1/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6+,10-9+" + - !!omap + - id: "sphmyln18114_hs_c" + - name: "Sm (D18:1/14:0), Sphingomyelin" + - 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"sphmyln181181_hs_c" + - name: "Sm (D18:1/18:1), Sphingomyelin" + - compartment: "c" + - formula: "C41H82N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln181201_hs_c" + - name: "Sm (D18:1/20:1), Sphingomyelin" + - compartment: "c" + - formula: "C43H86N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18120_hs_c" + - name: "Sm (D18:1/20:0), Sphingomyelin" + - compartment: "c" + - formula: "C43H88N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "xolest183_hs_l" + - name: "1-Gamma-Linolenoyl-Cholesterol, Cholesterol-Ester (18:3, Delta 6, 9, 12)" + - compartment: "l" + - formula: "C45H74O2" + - charge: 0 + - inchis: "1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,17-18,26,35-36,38-42H,7-10,13,16,19-25,27-34H2,1-6H3/b12-11-,15-14-,18-17-/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1" + - !!omap + - id: "xolest182_hs_l" + - name: "1-Linoleoyl-Cholesterol, Cholesterol-Ester (18:2, Delta 9, 12)" + - compartment: "l" + - formula: "C45H76O2" + - charge: 0 + - inchis: "1/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14+/t36-,38+,39+,40-,41+,42+,44+,45-/s2" + - !!omap + - id: "xolest181_hs_l" + - name: "1-Vaccenoyl-Cholesterol, Cholesterol-Ester (18:1, Delta 11)" + - compartment: "l" + - formula: "C45H78O2" + - charge: 0 + - inchis: "1/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h12-13,26,35-36,38-42H,7-11,14-25,27-34H2,1-6H3/b13-12+/t36-,38+,39+,40-,41+,42+,44+,45-/s2" + - !!omap + - id: "xolest205_hs_l" + - name: "1-Timnodnoyl-Cholesterol, Cholesterol-Ester (20:5, Delta 5,8,11,14,17)" + - compartment: "l" + - formula: "C47H74O2" + - charge: 0 + - inchis: "1/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/s2" + - !!omap + - id: "xolest204_hs_l" + - name: "Cholesteryl Arachidonate, Cholesterol-Ester (20:4, Delta 5,8,11,14)" + - compartment: "l" + - formula: "C47H76O2" + - charge: 0 + - inchis: "1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1" + - !!omap + - id: "xolest226_hs_l" + - name: "Cholesteryl Docosahexanoate, Cholesterol-Ester (22:6, Delta 4,7,10,13,16,19)" + - compartment: "l" + - formula: "C49H76O2" 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"C19H38O4" + - charge: 0 + - inchis: "1/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3" + - !!omap + - id: "magste_hs_s" + - name: "1-Stearoylglycerol" + - compartment: "s" + - formula: "C21H42O4" + - charge: 0 + - inchis: "1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3" + - !!omap + - id: "magarachi_hs_s" + - name: "1-Arachidonoyl Glycerol" + - compartment: "s" + - formula: "C23H38O4" + - charge: 0 + - inchis: "1/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-" + - !!omap + - id: "pcholmyr_hs_c" + - name: "1-Myristoylglycerophosphocholine" + - compartment: "c" + - formula: "C22H47NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholole_hs_c" + - name: "1-Oleoylglycerophosphocholine (Delta 9)" + - compartment: "c" + - formula: "C26H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "peole_hs_c" + - name: "1-Oleoylglycerophosphoethanolamine (Delta 9)" + - compartment: "c" + - formula: "C23H46NO7P" + - charge: 0 + - inchis: "1/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9+" + - !!omap + - id: "pcholpalme_hs_c" + - name: "1-Palmitoleoylglycerophosphocholine (Delta 9)" + - compartment: "c" + - formula: "C24H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholpalm_hs_c" + - name: "1-Palmitoylglycerophosphocholine" + - compartment: "c" + - formula: "C24H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pepalm_hs_c" + - name: "1-Palmitoylglycerophosphoethanolamine" + - compartment: "c" + - formula: "C21H44NO7P" + - charge: 0 + - inchis: "1/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)" + - !!omap + - id: "pailpalm_hs_c" + - name: "1-Palmitoylglycerophosphoinositol" + - compartment: "c" + - formula: "C25H48O12P" + - charge: -1 + - inchis: "" + - !!omap + - id: "pcholste_hs_c" + - name: "1-Stearoylglycerophosphocholine" + - compartment: "c" + - formula: "C26H55NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pchol2linl_hs_c" + - name: "2-Linoleoylglycerophosphocholine" + - compartment: "c" + - formula: "C26H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pe2linl_hs_c" + - name: "2-Linoleoylglycerophosphoethanolamine" + - compartment: "c" + - formula: "C23H44NO7P" + - charge: 0 + - inchis: "1/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/s2" + - !!omap + - id: "pchol2ole_hs_c" + - name: "2-Oleoylglycerophosphocholine" + - compartment: "c" + - formula: "C26H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pchol2palm_hs_c" + - name: "2-Palmitoylglycerophosphocholine" + - compartment: "c" + - formula: "C24H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pchol2ste_hs_c" + - name: "2-Stearoylglycerophosphocholine" + - compartment: "c" + - formula: "C26H55NO7P" + - charge: 0 + - inchis: "1/C26H55NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3,(H,30,31)" + - !!omap + - id: "pcholn15_hs_c" + - name: "1-Pentadecanoylglycerophosphocholine, Sn1-Lpc (15:0)" + - compartment: "c" + - formula: "C23H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholar_hs_c" + - name: "1-Arachidonoyl-Glycero-3-Phosphocholine" + - compartment: "c" + - formula: "C28H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn183_hs_c" + - name: "1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 9, 12, 15)" + - compartment: "c" + - formula: "C26H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn1836_hs_c" + - name: "1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 6, 9, 12)" + - compartment: "c" + - formula: "C26H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn19_hs_c" + - name: "1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0)" + - compartment: "c" + - formula: "C27H57NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn201_hs_c" + - name: "1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1)" + - compartment: "c" + - formula: "C28H57NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn204_hs_c" + - name: "1-Eicosatetraenoylglycerophosphocholine (Delta 8, 11, 14, 17), Sn1-Lpc (20:4)" + - compartment: "c" + - formula: "C28H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn205_hs_c" + - name: "1-Eicosapentenoylglycerophosphocholine (Delta 5, 8, 11, 14, 17), Sn1-Lpc (20:5)" + - compartment: "c" + - formula: "C28H49NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn224_hs_c" + - name: "1-Docosatetraenoylglycerophosphocholine (Delta 7, 10, 13, 16), Sn1-Lpc (22:4)" + - compartment: "c" + - formula: "C30H55NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn225_hs_c" + - name: "1-Docosapentenoylglycerophosphocholine (Delta 7, 10, 13, 16, 19), Sn1-Lpc (22:5)-W3" + - compartment: "c" + - formula: "C30H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn2254_hs_c" + - name: "1-Docosapentenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16), Sn1-Lpc (22:5)-W6" + - compartment: "c" + - formula: "C30H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn226_hs_c" + - name: "1-Docosahexenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16, 19), Sn1-Lpc (22:6)" + - compartment: "c" + - formula: "C30H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pear_hs_c" + - name: "1-Arachidonoyl-Sn-Glycero-3-Phosphoethanolamine" + - compartment: "c" + - formula: "C25H44NO7P" + - charge: 0 + - inchis: "1/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,15-16,24,27H,2-5,8,11,14,17-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-" + - !!omap + - id: "pe203_hs_c" + - name: "1-Eicosatrienoylglycerophosphoethanolamine (Delta 11, 14, 17), Lpe (20:3)" + - compartment: "c" + - formula: "C25H46NO7P" + - charge: 0 + - inchis: "1/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,24,27H,2,5,8,11-23,26H2,1H3,(H,29,30)/b4-3+,7-6+,10-9+/t24-/s2" + - !!omap + - id: "pe226_hs_c" + - name: "1-Docosahexenoylglyceroethanolamine (Delta 4, 7, 10, 13, 16, 19), Lpe (22:6)" + - compartment: "c" + - formula: "C27H46NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pe224_hs_c" + - name: "1-Docosatetraenoyglycerophosphoethanolamine (22:4, Delta 7, 10, 13, 16)" + - compartment: "c" + - formula: "C27H48NO7P" + - charge: 0 + - inchis: "1/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6+,10-9+,13-12+,16-15+/t26-/s2" + - !!omap + - id: "pedh203_hs_c" + - name: "1-Dihomo-Linolenoylglycerophosphoethanolamine (20:3, Delta 8, 11, 14)" + - compartment: "c" + - formula: "C25H46NO7P" + - charge: 0 + - inchis: "1/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,24,27H,2-5,8,11,14-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-" + - !!omap + - id: "pe12_hs_c" + - name: "1-Didecanoylglycerophosphoethanolamine (C12:0 Pe)" + - compartment: "c" + - formula: "C17H36NO7P" + - charge: 0 + - inchis: "1/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22)" + - !!omap + - id: "pe14_hs_c" + - name: "1-Myristoylglycerophosphoethanolamine (C14:0 Pe)" + - compartment: "c" + - formula: "C19H40NO7P" + - charge: 0 + - inchis: "1/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)" + - !!omap + - id: "pe161_hs_c" + - name: "1-Hexadecenoylglycerophosphoethanolamine (C16:1 Pe, Delta 9)" + - compartment: "c" + - formula: "C21H42NO7P" + - charge: 0 + - inchis: "1/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7+" + - !!omap + - id: "pe13_hs_c" + - name: "1-Tridecanoylglycerophosphoethanolamine (C13:0 Pe)" + - compartment: "c" + - formula: "C18H38NO7P" + - charge: 0 + - inchis: "1/C18H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19/h17,20H,2-16,19H2,1H3,(H,22,23)" + - !!omap + - id: "pe15_hs_c" + - name: "1-Pentadecanoylglycerophosphoethanolamine (C15:0 Pe)" + - compartment: "c" + - formula: "C20H42NO7P" + - charge: 0 + - inchis: "1/C20H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)28-19(17-22)18-27-29(24,25)26-16-15-21/h19,22H,2-18,21H2,1H3,(H,24,25)/t19-/s2" + - !!omap + - id: "pe17_hs_c" + - name: "1-Heptadecanoylglycerophosphoethanolamine (C17:0 Pe)" + - compartment: "c" + - formula: "C22H46NO7P" + - charge: 0 + - inchis: "1/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)" + - !!omap + - id: "pcholn203_hs_c" + - name: "1-Dihomo-Linolenoylglycerophosphocholine (20:3, Delta 8, 11, 14), Lysopc A C20:3" + - compartment: "c" + - formula: "C28H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pailar_hs_c" + - name: "1-Arachidonoylglycerophosphoinositol" + - compartment: "c" + - formula: "C29H48O12P" + - charge: -1 + - inchis: "" + - !!omap + - id: "pcholn24_hs_c" + - name: "1-Lignocericylglycerophosphocholine (24:0), Lysopc A C24" + - compartment: "c" + - formula: "C32H67NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn261_hs_c" + - name: "Lysopc A C26:1 (Delta 5)" + - compartment: "c" + - formula: "C34H69NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn281_hs_c" + - name: "Lysopc A C28:1 (Delta 5)" + - compartment: "c" + - formula: "C36H73NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholn28_hs_c" + - name: "Lysopc A C28:0" + - compartment: "c" + - formula: "C36H75NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholdoc_hs_c" + - name: "1-Docosahexaenoylglycerophosphocholine" + - compartment: "c" + - formula: "C34H59NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholeic_hs_c" + - name: "1-Eicosadienoylglycerophosphocholine (Delta 11,14)" + - compartment: "c" + - formula: "C28H55NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholet_hs_c" + - name: "1-Eicosatrienoylglycerophosphocholine (Delta 11, 14, 17)" + - compartment: "c" + - formula: "C28H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pcholhep_hs_c" + - name: "1-Heptadecanoylglycerophosphocholine" + - compartment: "c" + - formula: "C25H53NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pchollinl_hs_c" + - name: "1-Linoleoylglycerophosphocholine (Delta 9,12)" + - compartment: "c" + - formula: "C26H51NO7P" + - charge: 0 + - inchis: "" + - !!omap + - id: "pelinl_hs_c" + - name: "1-Linoleoylglycerophosphoethanolamine (Delta 9,12)" + - compartment: "c" + - formula: "C23H44NO7P" + - charge: 0 + - inchis: "1/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6+,10-9+" + - !!omap + - id: "eidi1114ac_c" + - name: "Cis,Cis-11,14-Eicosadienoic Acid" + - compartment: "c" + - formula: "C20H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "hxa_c" + - name: "Hexanoate (N-C6:0)" + - compartment: "c" + - formula: "C6H11O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "tetdeca511ac_c" + - name: "Cia-5,8, Tetradecadienoic Acid" + - compartment: "c" + - formula: "C14H23O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "glyc2p_c" + - name: "Glycerol 2-Phosphate" + - compartment: "c" + - formula: "C3H7O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "aclys_c" + - name: "Acetyl-L-Lysine" + - compartment: "c" + - formula: "C8H16N2O3" + - charge: 0 + - inchis: "1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1" + - !!omap + - id: "hmcarn_c" + - name: "Homocarnosine" + - compartment: "c" + - formula: "C10H16N4O3" + - charge: 0 + - inchis: "1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1" + - !!omap + - id: "4mtob_c" + - name: "4-Methyl-Thio-Oxo-Butyrate" + - compartment: "c" + - formula: "C5H7O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "3mtp_c" + - name: "3-Methyl-Thio-Propionate" + - compartment: "c" + - formula: "C4H8OS" + - charge: 0 + - inchis: "1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3" + - !!omap + - id: "3mtp_s" + - name: "3-Methyl-Thio-Propionate" + - compartment: "s" + - formula: "C4H8OS" + - charge: 0 + - inchis: "1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3" + - !!omap + - id: "m00126s" + - name: "(9E)-octadecenoylcarnitine" + - compartment: "s" + - formula: "C25H47NO4" + - charge: 0 + - inchis: "1/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12+" + - !!omap + - id: "m02388s" + - name: "linoleic-carnitine" + - compartment: "s" + - formula: "C25H45NO4" + - charge: 0 + - inchis: "1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1" + - !!omap + - id: "phlac_s" + - name: "Phenyllactate" + - compartment: "s" + - formula: "C9H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00380s" + - name: "15(S)-HPETE" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "15kprostgf2_s" + - name: "15-Keto-Prostaglandin F2A" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "21hprgnlone_s" + - name: "21-Hydroxypregnenolone" + - compartment: "s" + - formula: "C21H32O3" + - charge: 0 + - inchis: "1/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15?,16?,17?,18+,20-,21-/s2" + - !!omap + - id: "m00670s" + - name: "2-oxoadipate" + - compartment: "s" + - formula: "C6H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01004s" + - name: "4-hydroxyphenyllactate" + - compartment: "s" + - formula: "C9H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00784c" + - name: "3-hydroxyisobutyrate" + - compartment: "c" + - formula: "C4H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00784s" + - name: "3-hydroxyisobutyrate" + - compartment: "s" + - formula: "C4H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hpppnohgluc_c" + - name: "3-(3-Hydroxy-Phenyl)Propionate Hydroxy Derivative Glucuronide" + - compartment: "c" + - formula: "C15H16O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "3hpppnohgluc_s" + - name: "3-(3-Hydroxy-Phenyl)Propionate Hydroxy Derivative Glucuronide" + - compartment: "s" + - formula: "C15H16O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "3hpppn_c" + - name: "3-(3-Hydroxy-Phenyl)Propionate" + - compartment: "c" + - formula: "C9H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hpppnoh_c" + - name: "3-(3-Hydroxy-Phenyl)Propionate Hydroxy Derivative" + - compartment: "c" + - formula: "C9H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02142s" + - name: "hydracrylate" + - compartment: "s" + - formula: "C3H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3mhis_s" + - name: "3-Methylhistidine" + - compartment: "s" + - formula: "C7H11N3O2" + - charge: 0 + - inchis: "1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1" + - !!omap + - id: "m00821s" + - name: "3-methoxytyramine" + - compartment: "s" + - formula: "C9H14NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00922s" + - name: "3-ureidoisobutyrate" + - compartment: "s" + - formula: "C5H9N2O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00952s" + - name: "4-acetamidobutanoate" + - compartment: "s" + - formula: "C6H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01922s" + - name: "gamma-butyrobetaine" + - compartment: "s" + - formula: "C7H15NO2" + - charge: 0 + - inchis: "1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3" + - !!omap + - id: "m01705s" + - name: "dihydrothymine" + - compartment: "s" + - formula: "C5H8N2O2" + - charge: 0 + - inchis: "1/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)" + - !!omap + - id: "m01052s" + - name: "5,6-Dihydrouracil" + - compartment: "s" + - formula: "C4H6N2O2" + - charge: 0 + - inchis: "1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)" + - !!omap + - id: "m01074s" + - name: "5-aminolevulinate" + - compartment: "s" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)" + - !!omap + - id: "m01042s" + - name: "5(S)-HPETE" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02805s" + - name: "provitamin D3" + - compartment: "s" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "abt_D_s" + - name: "D-Arabitol" + - compartment: "s" + - formula: "C5H12O5" + - charge: 0 + - inchis: "1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1" + - !!omap + - id: "abt_D_c" + - name: "D-Arabitol" + - compartment: "c" + - formula: "C5H12O5" + - charge: 0 + - inchis: "1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1" + - !!omap + - id: "m02536c" + - name: "N-acetyl-L-glutamate" + - compartment: "c" + - formula: "C7H9NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02536s" + - name: "N-acetyl-L-glutamate" + - compartment: "s" + - formula: "C7H9NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "acgly_m" + - name: "Acetyl-Glycine" + - compartment: "m" + - formula: "C4H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "acgly_c" + - name: "Acetyl-Glycine" + - compartment: "c" + - formula: "C4H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "acgly_s" + - name: "Acetyl-Glycine" + - compartment: "s" + - formula: "C4H6NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "aclys_s" + - name: "Acetyl-L-Lysine" + - compartment: "s" + - formula: "C8H16N2O3" + - charge: 0 + - inchis: "1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1" + - !!omap + - id: "aclys_m" + - name: "Acetyl-L-Lysine" + - compartment: "m" + - formula: "C8H16N2O3" + - charge: 0 + - inchis: "1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1" + - !!omap + - id: "m02546s" + - name: "N-acetylornithine" + - compartment: "s" + - formula: "C7H14N2O3" + - charge: 0 + - inchis: "1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1" + - !!omap + - id: "acthr_L_m" + - name: "Acetyl-Threonine" + - compartment: "m" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "acthr_L_c" + - name: "Acetyl-Threonine" + - compartment: "c" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "acthr_L_s" + - name: "Acetyl-Threonine" + - compartment: "s" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "adpac_s" + - name: "Adipic Acid" + - compartment: "s" + - formula: "C6H8O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "adpoh_s" + - name: "2-Hydroxyadipic Acid" + - compartment: "s" + - formula: "C6H8O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01313s" + - name: "allantoin" + - compartment: "s" + - formula: "C4H6N4O3" + - charge: 0 + - inchis: "1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)" + - !!omap + - id: "m02877s" + - name: "SAM" + - compartment: "s" + - formula: "C15H23N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "and19one_s" + - name: "19-Hydroxyandrost-4-Ene-3,17-Dione" + - compartment: "s" + - formula: "C19H26O3" + - charge: 0 + - inchis: "1/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14?,15?,16?,18-,19+/s2" + - !!omap + - id: "m02733s" + - name: "phosphatidate-LD-TAG pool" + - compartment: "s" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "aracheth_s" + - name: "O-Arachidonoyl Ethanolamine" + - compartment: "s" + - formula: "C22H38NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01399s" + - name: "biliverdin" + - compartment: "s" + - formula: "C33H32N4O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00169s" + - name: "(S)-2-aminobutanoate" + - compartment: "s" + - formula: "C4H9NO2" + - charge: 0 + - inchis: "1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1" + - !!omap + - id: "m02540s" + - name: "N-acetylmethionine" + - compartment: "s" + - formula: "C7H12NO3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00337s" + - name: "13(S)-HPODE" + - compartment: "s" + - formula: "C18H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01040s" + - name: "5(S)-HETE" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02796s" + - name: "prostaglandin J2" + - compartment: "s" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02395s" + - name: "lipoxin A4" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02396s" + - name: "lipoxin B4" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01335s" + - name: "anandamide" + - compartment: "s" + - formula: "C22H37NO2" + - charge: 0 + - inchis: "1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-" + - !!omap + - id: "m01054s" + - name: "5,6-EET" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01209s" + - name: "8,9-EET" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00279s" + - name: "11,12-EET" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00366s" + - name: "14,15-EET" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01216s" + - name: "9(10)-EpOME" + - compartment: "s" + - formula: "C18H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00305s" + - name: "12(13)-EpOME" + - compartment: "s" + - formula: "C18H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01168s" + - name: "6-oxo-prostaglandin F1alpha" + - compartment: "s" + - formula: "C20H33O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00308s" + - name: "12(S)-HHT" + - compartment: "s" + - formula: "C17H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01087s" + - name: "5beta-cholestane-3alpha,7alpha,12alpha,24s,25-pentol" + - compartment: "s" + - formula: "C27H48O5" + - charge: 0 + - inchis: "1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1" + - !!omap + - id: "CE1297_s" + - name: "8-Dehydrocholesterol" + - compartment: "s" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1" + - !!omap + - id: "m02530s" + - name: "N-acetyl-L-alanine" + - compartment: "s" + - formula: "C5H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02531s" + - name: "N-acetyl-L-asparagine" + - compartment: "s" + - formula: "C6H9N2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01392s" + - name: "beta-hydroxy-beta-methylbutyrate" + - compartment: "s" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00830s" + - name: "3-O-methyldopa" + - compartment: "s" + - formula: "C10H13NO4" + - charge: 0 + - inchis: "1/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)" + - !!omap + - id: "m01172s" + - name: "6-trans-LTB4" + - compartment: "s" + - formula: "C20H31O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "CE2516_s" + - name: "(8Z,11Z,14Z)-Eicosatrienoic Acid" + - compartment: "s" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00378s" + - name: "15(S)-HETrE" + - compartment: "s" + - formula: "C20H33O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "eidi1114ac_s" + - name: "Cis,Cis-11,14-Eicosadienoic Acid" + - compartment: "s" + - formula: "C20H35O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00384s" + - name: "15-deoxy-PGD2" + - compartment: "s" + - formula: "C20H29O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01337s" + - name: "androsterone sulfate" + - compartment: "s" + - formula: "C19H29O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01047s" + - name: "5,12,20-TriHETE" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00376s" + - name: "15(S)-HEPE" + - compartment: "s" + - formula: "C20H29O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02365s" + - name: "leukotriene B5" + - compartment: "s" + - formula: "C20H29O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00365s" + - name: "14,15-DiHETE" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01616s" + - name: "cortisone" + - compartment: "s" + - formula: "C21H28O5" + - charge: 0 + - inchis: "1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" + - !!omap + - id: "didecaeth_s" + - name: "C12:0-Ethanolamide, Didecanoyl Ethanolamide" + - compartment: "s" + - formula: "C14H29NO2" + - charge: 0 + - inchis: "1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h16H,2-13H2,1H3,(H,15,17)" + - !!omap + - id: "diholineth_s" + - name: "Dihomo-Gamma-Linolenoyl Ethanolamide" + - compartment: "s" + - formula: "C22H39NO2" + - charge: 0 + - inchis: "1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6+,10-9+,13-12+" + - !!omap + - id: "docohxeth_s" + - name: "Docosahexaenoyl Ethanolamide" + - compartment: "s" + - formula: "C24H37NO2" + - charge: 0 + - inchis: "1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-" + - !!omap + - id: "docteteth_s" + - name: "Docosatetraenoyl Ethanolamide (22:4, Delta 7, 10, 13, 16)" + - compartment: "s" + - formula: "C24H41NO2" + - charge: 0 + - inchis: "1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6+,10-9+,13-12+,16-15+" + - !!omap + - id: "dodecanac_s" + - name: "Dodecanedioic Acid" + - compartment: "s" + - formula: "C12H20O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02574s" + - name: "N-formimino-L-glutamate" + - compartment: "s" + - formula: "C6H8N2O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02479s" + - name: "methylmalonate" + - compartment: "s" + - formula: "C4H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "hepdeceth_s" + - name: "Heptadecanoyl Thanolamide (C17:0)" + - compartment: "s" + - formula: "C19H39NO2" + - charge: 0 + - inchis: "1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-17-18-21/h21H,2-18H2,1H3,(H,20,22)" + - !!omap + - id: "hexdeceeth_s" + - name: "Hexadecenoyl Ethanolamide, C16:1-Ethanolamide (Delta 9)" + - compartment: "s" + - formula: "C18H35NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "hexdiac_s" + - name: "Hexadecanediocacid" + - compartment: "s" + - formula: "C16H28O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02135s" + - name: "homogentisate" + - compartment: "s" + - formula: "C8H7O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "hmcarn_s" + - name: "Homocarnosine" + - compartment: "s" + - formula: "C10H16N4O3" + - charge: 0 + - inchis: "1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1" + - !!omap + - id: "hmcr_s" + - name: "Homocitrulline" + - compartment: "s" + - formula: "C7H15N3O3" + - charge: 0 + - inchis: "1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1" + - !!omap + - id: "m02122s" + - name: "hexanoyl-CoA" + - compartment: "s" + - formula: "C27H42N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m00585s" + - name: "20-COOH-LTB4" + - compartment: "s" + - formula: "C20H28O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m00599s" + - name: "20-OH-LTB4" + - compartment: "s" + - formula: "C20H31O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "lineth_s" + - name: "Linoleoyl Ethanolamide" + - compartment: "s" + - formula: "C20H37NO2" + - charge: 0 + - inchis: "1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-" + - !!omap + - id: "m02413s" + - name: "L-pipecolate" + - compartment: "s" + - formula: "C6H11NO2" + - charge: 0 + - inchis: "1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/s2" + - !!omap + - id: "m02343s" + - name: "lathosterol" + - compartment: "s" + - formula: "C27H46O" + - charge: 0 + - inchis: "1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m00167s" + - name: "(R)-mevalonate" + - compartment: "s" + - formula: "C6H11O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02173s" + - name: "inositol-1-phosphate" + - compartment: "s" + - formula: "C6H11O9P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02532s" + - name: "N-acetyl-L-aspartate" + - compartment: "s" + - formula: "C6H7NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02497s" + - name: "N-(omega)-hydroxyarginine" + - compartment: "s" + - formula: "C6H15N4O3" + - charge: 1 + - inchis: "" + - !!omap + - id: "oleth_s" + - name: "Oleoyl Ethanolamide" + - compartment: "s" + - formula: "C20H39NO2" + - charge: 0 + - inchis: "1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-" + - !!omap + - id: "m02381s" + - name: "L-hydroxylysine" + - compartment: "s" + - formula: "C6H14N2O3" + - charge: 0 + - inchis: "1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/s2" + - !!omap + - id: "pendecaeth_s" + - name: "Pentadecanoyl Thanolamide (C15:0)" + - compartment: "s" + - formula: "C17H35NO2" + - charge: 0 + - inchis: "1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18-15-16-19/h19H,2-16H2,1H3,(H,18,20)" + - !!omap + - id: "pmeth_s" + - name: "Palmitoylethanolamide" + - compartment: "s" + - formula: "C18H37NO2" + - charge: 0 + - inchis: "1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)" + - !!omap + - id: "m02868s" + - name: "saccharopine" + - compartment: "s" + - formula: "C11H19N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "sebacid_s" + - name: "Sebacicacid" + - compartment: "s" + - formula: "C10H16O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "sphmyln180241_hs_s" + - name: "Sm (D18:0/24:1), Sphingomyelin" + - compartment: "s" + - formula: "C47H96N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18114_hs_s" + - name: "Sm (D18:1/14:0), Sphingomyelin" + - compartment: "s" + - formula: "C37H76N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18115_hs_s" + - name: "Sm (D18:1/15:0), Sphingomyelin" + - compartment: "s" + - formula: "C38H78N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18116_hs_s" + - name: "Sm (D18:1/16:0), Sphingomyelin" + - compartment: "s" + - formula: "C39H80N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln181161_hs_s" + - name: "Sm (D18:1/16:1), Sphingomyelin" + - compartment: "s" + - formula: "C39H78N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18117_hs_s" + - name: "Sm (D18:1/17:0), Sphingomyelin" + - compartment: "s" + - formula: "C40H82N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18118_hs_s" + - name: "Sm (D18:1/18:0), Sphingomyelin" + - compartment: "s" + - formula: "C41H84N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln181181_hs_s" + - name: "Sm (D18:1/18:1), Sphingomyelin" + - compartment: "s" + - formula: "C41H82N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18120_hs_s" + - name: "Sm (D18:1/20:0), Sphingomyelin" + - compartment: "s" + - formula: "C43H88N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln181201_hs_s" + - name: "Sm (D18:1/20:1), Sphingomyelin" + - compartment: "s" + - formula: "C43H86N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18121_hs_s" + - name: "Sm (D18:1/21:0), Sphingomyelin" + - compartment: "s" + - formula: "C44H90N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18122_hs_s" + - name: "Sm (D18:1/22:0), Sphingomyelin" + - compartment: "s" + - formula: "C45H92N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln181221_hs_s" + - name: "Sm (D18:1/22:1), Sphingomyelin" + - compartment: "s" + - formula: "C45H90N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln18123_hs_s" + - name: "Sm (D18:1/23:0), Sphingomyelin" + - compartment: "s" + - formula: "C46H94N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln1824_hs_s" + - name: "Sm (D18:0/24:0), Sphingomyelin" + - compartment: "s" + - formula: "C47H98N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "sphmyln1825_hs_s" + - name: "Sm (D18:0/25:0), Sphingomyelin" + - compartment: "s" + - formula: "C48H100N2O6P" + - charge: 0 + - inchis: "" + - !!omap + - id: "steeth_s" + - name: "Stearoyl Ethanolamide" + - compartment: "s" + - formula: "C20H41NO2" + - charge: 0 + - inchis: "1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)" + - !!omap + - id: "subeac_s" + - name: "Suberic Acid" + - compartment: "s" + - formula: "C8H12O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "tetdeca511ac_s" + - name: "Cia-5,8, Tetradecadienoic Acid" + - compartment: "s" + - formula: "C14H23O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "tetdecaeth_s" + - name: "C14:0-Ethanolamide, Tetradecanoyl Ethanolamide" + - compartment: "s" + - formula: "C16H33NO2" + - charge: 0 + - inchis: "1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)" + - !!omap + - id: "m02992s" + - name: "threonate" + - compartment: "s" + - formula: "C4H7O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02517s" + - name: "N6,N6,N6-trimethyl-L-lysine" + - compartment: "s" + - formula: "C9H20N2O2" + - charge: 0 + - inchis: "1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1" + - !!omap + - id: "trideceth_s" + - name: "Tridecanoyl Thanolamide (C13:0)" + - compartment: "s" + - formula: "C15H31NO2" + - charge: 0 + - inchis: "1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17/h17H,2-14H2,1H3,(H,16,18)" + - !!omap + - id: "txb2_s" + - name: "Thromboxane B2" + - compartment: "s" + - formula: "C20H33O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03124s" + - name: "urocanate" + - compartment: "s" + - formula: "C6H5N2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "xolest182_hs_s" + - name: "1-Linoleoyl-Cholesterol, Cholesterol-Ester (18:2, Delta 9, 12)" + - compartment: "s" + - formula: "C45H76O2" + - charge: 0 + - inchis: "1/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14+/t36-,38+,39+,40-,41+,42+,44+,45-/s2" + - !!omap + - id: "m01909s" + - name: "galactitol" + - compartment: "s" + - formula: "C6H14O6" + - charge: 0 + - inchis: "1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-" + - !!omap + - id: "glyc2p_s" + - name: "Glycerol 2-Phosphate" + - compartment: "s" + - formula: "C3H7O6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01998s" + - name: "glycolate" + - compartment: "s" + - formula: "C2H3O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hpppn_s" + - name: "3-(3-Hydroxy-Phenyl)Propionate" + - compartment: "s" + - formula: "C9H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "hxa_m" + - name: "Hexanoate (N-C6:0)" + - compartment: "m" + - formula: "C6H11O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "hxa_p" + - name: "Hexanoate (N-C6:0)" + - compartment: "p" + - formula: "C6H11O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02169s" + - name: "indoleacetate" + - compartment: "s" + - formula: "C10H8NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02350s" + - name: "L-cysteate" + - compartment: "s" + - formula: "C3H6NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02413c" + - name: "L-pipecolate" + - compartment: "c" + - formula: "C6H11NO2" + - charge: 0 + - inchis: "1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/s2" + - !!omap + - id: "m02633s" + - name: "OAA" + - compartment: "s" + - formula: "C4H2O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02720s" + - name: "phenylacetate" + - compartment: "s" + - formula: "C8H7O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00916s" + - name: "3-phosphoserine" + - compartment: "s" + - formula: "C3H6NO6P" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02868c" + - name: "saccharopine" + - compartment: "c" + - formula: "C11H19N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "txb2_c" + - name: "Thromboxane B2" + - compartment: "c" + - formula: "C20H33O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "acile_L_m" + - name: "Acetyl Isoleucine (Chemspider Id: 9964364)" + - compartment: "m" + - formula: "C8H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "acile_L_c" + - name: "Acetyl Isoleucine (Chemspider Id: 9964364)" + - compartment: "c" + - formula: "C8H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "acile_L_s" + - name: "Acetyl Isoleucine (Chemspider Id: 9964364)" + - compartment: "s" + - formula: "C8H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "acleu_L_m" + - name: "N-Acetylleucine" + - compartment: "m" + - formula: "C8H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "acleu_L_c" + - name: "N-Acetylleucine" + - compartment: "c" + - formula: "C8H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "acleu_L_s" + - name: "N-Acetylleucine" + - compartment: "s" + - formula: "C8H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "achom_L_m" + - name: "Acetylhomoserine" + - compartment: "m" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "achom_L_c" + - name: "Acetylhomoserine" + - compartment: "c" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "achom_L_s" + - name: "Acetylhomoserine" + - compartment: "s" + - formula: "C6H10NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "phacgly_s" + - name: "Phenylacetylglycine_phacgly" + - compartment: "s" + - formula: "C10H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02136m" + - name: "homoserine" + - compartment: "m" + - formula: "C4H9NO3" + - charge: 0 + - inchis: "1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1" + - !!omap + - id: "urscholcoa_c" + - name: "Ursodeoxycholyl Coenzyme A" + - compartment: "c" + - formula: "C45H70N7O19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "7klitchol_c" + - name: "7-Ketolithocholate" + - compartment: "c" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01380m" + - name: "benzoate" + - compartment: "m" + - formula: "C7H5O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "bzcoa_m" + - name: "Benzoyl Coenzyme A" + - compartment: "m" + - formula: "C28H36N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02123m" + - name: "hippurate" + - compartment: "m" + - formula: "C9H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02721m" + - name: "phenylacetyl-CoA" + - compartment: "m" + - formula: "C29H38N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "pheacgly_m" + - name: "Phenylacetylglycine" + - compartment: "m" + - formula: "C10H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "pheacgly_c" + - name: "Phenylacetylglycine" + - compartment: "c" + - formula: "C10H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "pheacgly_s" + - name: "Phenylacetylglycine" + - compartment: "s" + - formula: "C10H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "pcresol_c" + - name: "P-Cresol" + - compartment: "c" + - formula: "C7H7O" + - charge: -1 + - inchis: "" + - !!omap + - id: "pcs_c" + - name: "P-Cresol Sulfate" + - compartment: "c" + - formula: "C7H7O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "indole_c" + - name: "Indole" + - compartment: "c" + - formula: "C8H7N" + - charge: 0 + - inchis: "1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" + - !!omap + - id: "indoxyl_c" + - name: "Indoxyl" + - compartment: "c" + - formula: "C8H6NO" + - charge: -1 + - inchis: "" + - !!omap + - id: "inds_c" + - name: "Indoxyl Sulfate" + - compartment: "c" + - formula: "C8H6NO4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "indole_s" + - name: "Indole" + - compartment: "s" + - formula: "C8H7N" + - charge: 0 + - inchis: "1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" + - !!omap + - id: "inds_s" + - name: "Indoxyl Sulfate" + - compartment: "s" + - formula: "C8H6NO4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "pcresol_s" + - name: "P-Cresol" + - compartment: "s" + - formula: "C7H7O" + - charge: -1 + - inchis: "" + - !!omap + - id: "pcs_s" + - name: "P-Cresol Sulfate" + - compartment: "s" + - formula: "C7H7O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hcinnm_s" + - name: "3-Hydroxycinnamic Acid" + - compartment: "s" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hcinnm_c" + - name: "3-Hydroxycinnamic Acid" + - compartment: "c" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hppa_s" + - name: "3-Hydroxyphenylpropionic Acid (3-Hppa)" + - compartment: "s" + - formula: "C9H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hppa_c" + - name: "3-Hydroxyphenylpropionic Acid (3-Hppa)" + - compartment: "c" + - formula: "C9H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02622s" + - name: "normetanephrine" + - compartment: "s" + - formula: "C9H14NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00400s" + - name: "16alpha-hydroxyestrone" + - compartment: "s" + - formula: "C18H22O3" + - charge: 0 + - inchis: "1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1" + - !!omap + - id: "m01698s" + - name: "dihydrobiopterin" + - compartment: "s" + - formula: "C9H13N5O3" + - charge: 0 + - inchis: "1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)" + - !!omap + - id: "m02978s" + - name: "tetrahydrobiopterin" + - compartment: "s" + - formula: "C9H15N5O3" + - charge: 0 + - inchis: "1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)" + - !!omap + - id: "alaargcys_s" + - name: "Alanyl-Arginyl-Cysteine" + - compartment: "s" + - formula: "C12H25N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "alaarggly_s" + - name: "Alanyl-Arginyl-Glycine" + - compartment: "s" + - formula: "C11H23N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "alaasnleu_s" + - name: "Alanyl-Asparaginyl-Leucine" + - compartment: "s" + - formula: "C13H24N4O5" + - charge: 0 + - inchis: "1/C13H24N4O5/c1-6(2)4-9(13(21)22)17-12(20)8(5-10(15)18)16-11(19)7(3)14/h6-9H,4-5,14H2,1-3H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)" + - !!omap + - id: "alaglylys_s" + - name: "Alanyl-Glycyl-Lysine" + - compartment: "s" + - formula: "C11H23N4O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "alahisala_s" + - name: "Alanyl-Histidyl-Alanine" + - compartment: "s" + - formula: "C12H19N5O4" + - charge: 0 + - inchis: "1S/C12H19N5O4/c1-6(13)10(18)17-9(3-8-4-14-5-15-8)11(19)16-7(2)12(20)21/h4-7,9H,3,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)(H,20,21)/t6-,7-,9-/m0/s1" + - !!omap + - id: "alalysthr_s" + - name: "Alanyl-Lysine-Threonine" + - compartment: "s" + - formula: "C13H27N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argalaala_s" + - name: "Arginyl-Alanyl-Alanine" + - compartment: "s" + - formula: "C12H25N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "argalaphe_s" + - name: "Arginyl-Alanine-Phenylalanine" + - compartment: "s" + - formula: "C18H29N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "argalathr_s" + - name: "Arginyl-Alanyl-Threonine" + - compartment: "s" + - formula: "C13H27N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argarg_s" + - name: "Arginyl-Arginine" + - compartment: "s" + - formula: "C12H28N8O3" + - charge: 2 + - inchis: "" + - !!omap + - id: "argarglys_s" + - name: "Arginyl-Arginyl-Lysine" + - compartment: "s" + - formula: "C18H41N10O4" + - charge: 3 + - inchis: "" + - !!omap + - id: "argargmet_s" + - name: "Arginyl-Arginyl-Metheonine" + - compartment: "s" + - formula: "C17H37N9O4S" + - charge: 2 + - inchis: "" + - !!omap + - id: "argcysgly_s" + - name: "Arginyl-Cystinyl-Glycine" + - compartment: "s" + - formula: "C11H23N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "argcysser_s" + - name: "Arginyl-Cystinyl-Serine" + - compartment: "s" + - formula: "C12H25N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "arggluglu_s" + - name: "Arginyl-Glutamyl-Glutamate" + - compartment: "s" + - formula: "C16H27N6O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "argglupro_s" + - name: "Arginyl-Glutamyl-Proline" + - compartment: "s" + - formula: "C16H28N6O6" + - charge: 0 + - inchis: "1/C16H28N6O6/c17-9(3-1-7-20-16(18)19)13(25)21-10(5-6-12(23)24)14(26)22-8-2-4-11(22)15(27)28/h9-11H,1-8,17H2,(H,21,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10+,11-/s2" + - !!omap + - id: "argglygly_s" + - name: "Arginyl-Glycyl-Glycine" + - compartment: "s" + - formula: "C10H21N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "arghisthr_s" + - name: "Arginyl-Histidyl-Threonine" + - compartment: "s" + - formula: "C16H29N8O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argleuphe_s" + - name: "Arginyl-Leucyl-Phenylalanine" + - compartment: "s" + - formula: "C21H35N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "arglysasp_s" + - name: "Arginyl-Lysyl-Aspartate" + - compartment: "s" + - formula: "C16H32N7O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "argphearg_s" + - name: "Arginyl-Phenylalanine-Arginine" + - compartment: "s" + - formula: "C21H37N9O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "argpromet_s" + - name: "Arginyl-Prolyl-Methionine" + - compartment: "s" + - formula: "C16H31N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "argprothr_s" + - name: "Arginyl-Prolyl-Threonine" + - compartment: "s" + - formula: "C15H29N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argserser_s" + - name: "Arginyl-Seryl-Serine" + - compartment: "s" + - formula: "C12H25N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "argtyrval_s" + - name: "Argtyrval" + - compartment: "s" + - formula: "C20H33N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argvalcys_s" + - name: "Arginyl-Valyl-Cysteine" + - compartment: "s" + - formula: "C14H29N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "argvaltrp_s" + - name: "Arginyl-Valyl-Tryptophan" + - compartment: "s" + - formula: "C22H34N7O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "asnasnarg_s" + - name: "Asparaginyl-Asparaginyl-Arginine" + - compartment: "s" + - formula: "C14H27N8O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "asncyscys_s" + - name: "Asparaginyl-Cysteinyl-Cysteine" + - compartment: "s" + - formula: "C10H18N4O5S2" + - charge: 0 + - inchis: "1S/C10H18N4O5S2/c11-4(1-7(12)15)8(16)13-5(2-20)9(17)14-6(3-21)10(18)19/h4-6,20-21H,1-3,11H2,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/t4-,5-,6-/m0/s1" + - !!omap + - id: "asnmetpro_s" + - name: "Asparaginyl-Methionyl-Proline" + - compartment: "s" + - formula: "C14H24N4O5S" + - charge: 0 + - inchis: "1/C14H24N4O5S/c1-24-6-4-9(17-12(20)8(15)7-11(16)19)13(21)18-5-2-3-10(18)14(22)23/h8-10H,2-7,15H2,1H3,(H2,16,19)(H,17,20)(H,22,23)/t8-,9+,10?/s2" + - !!omap + - id: "asnpheasp_s" + - name: "Asparaginyl-Phenylalanyl-Aspartate" + - compartment: "s" + - formula: "C17H21N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "asnphecys_s" + - name: "Asparaginyl-Phenylalanyl-Cysteine" + - compartment: "s" + - formula: "C16H22N4O5S" + - charge: 0 + - inchis: "1/C16H22N4O5S/c17-10(7-13(18)21)14(22)19-11(6-9-4-2-1-3-5-9)15(23)20-12(8-26)16(24)25/h1-5,10-12,26H,6-8,17H2,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t10-,11+,12-/s2" + - !!omap + - id: "asntyrgly_s" + - name: "Asparaginyl-Tyrosyl-Glycine" + - compartment: "s" + - formula: "C15H20N4O6" + - charge: 0 + - inchis: "1/C15H20N4O6/c16-10(6-12(17)21)14(24)19-11(15(25)18-7-13(22)23)5-8-1-3-9(20)4-2-8/h1-4,10-11,20H,5-7,16H2,(H2,17,21)(H,18,25)(H,19,24)(H,22,23)/t10-,11+/s2" + - !!omap + - id: "asntyrphe_s" + - name: "Asparaginyl-Tyrosyl-Phenylalanine" + - compartment: "s" + - formula: "C22H26N4O6" + - charge: 0 + - inchis: "1/C22H26N4O6/c23-16(12-19(24)28)20(29)25-17(10-14-6-8-15(27)9-7-14)21(30)26-18(22(31)32)11-13-4-2-1-3-5-13/h1-9,16-18,27H,10-12,23H2,(H2,24,28)(H,25,29)(H,26,30)(H,31,32)/t16-,17+,18-/s2" + - !!omap + - id: "asntyrthr_s" + - name: "Asparaginyl-Tyrosyl-Threonine" + - compartment: "s" + - formula: "C17H24N4O7" + - charge: 0 + - inchis: "1/C17H24N4O7/c1-8(22)14(17(27)28)21-16(26)12(6-9-2-4-10(23)5-3-9)20-15(25)11(18)7-13(19)24/h2-5,8,11-12,14,22-23H,6-7,18H2,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,27,28)/t8-,11+,12-,14+/s2" + - !!omap + - id: "aspalaarg_s" + - name: "Asparaginyl-Alanyl-Arginine" + - compartment: "s" + - formula: "C13H24N6O6" + - charge: 0 + - inchis: "1/C13H24N6O6/c1-6(18-11(23)7(14)5-9(20)21)10(22)19-8(12(24)25)3-2-4-17-13(15)16/h6-8H,2-5,14H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)(H4,15,16,17)/t6-,7+,8+/s2" + - !!omap + - id: "aspasnglu_s" + - name: "Aspartyl-Asparaginyl-Glutamate" + - compartment: "s" + - formula: "C13H18N4O9" + - charge: -2 + - inchis: "" + - !!omap + - id: "aspglu_s" + - name: "Aspartyl-Glutamate" + - compartment: "s" + - formula: "C9H12N2O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "aspglupro_s" + - name: "Aspartyl-Glutamyl-Proline" + - compartment: "s" + - formula: "C14H19N3O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "aspglutrp_s" + - name: "Aspartyl-Glutamyl-Tryptophan" + - compartment: "s" + - formula: "C20H22N4O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "asphiscys_s" + - name: "Aspartyl-Histidyl-Cysteine" + - compartment: "s" + - formula: "C13H18N5O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "asphispro_s" + - name: "Aspartyl-Histidyl-Proline" + - compartment: "s" + - formula: "C15H20N5O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "asplysglu_s" + - name: "Aspartyl-Lysyl-Glutamate" + - compartment: "s" + - formula: "C15H25N4O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "asplyshis_s" + - name: "Aspartyl-Lysyl-Histidine" + - compartment: "s" + - formula: "C16H26N6O6" + - charge: 0 + - inchis: "1/C16H26N6O6/c17-4-2-1-3-11(21-14(25)10(18)6-13(23)24)15(26)22-12(16(27)28)5-9-7-19-8-20-9/h7-8,10-12H,1-6,17-18H2,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t10-,11+,12-/s2" + - !!omap + - id: "aspmetasp_s" + - name: "Aspartyl-Methionyl-Aspartate" + - compartment: "s" + - formula: "C13H19N3O8S" + - charge: -2 + - inchis: "" + - !!omap + - id: "aspprolys_s" + - name: "Aspartyl-Prolyl-Lysine" + - compartment: "s" + - formula: "C15H26N4O6" + - charge: 0 + - inchis: "1/C15H26N4O6/c16-6-2-1-4-10(15(24)25)18-13(22)11-5-3-7-19(11)14(23)9(17)8-12(20)21/h9-11H,1-8,16-17H2,(H,18,22)(H,20,21)(H,24,25)/t9-,10-,11-/s2" + - !!omap + - id: "aspvalasn_s" + - name: "Aspartyl-Valyl-Asparagine" + - compartment: "s" + - formula: "C13H21N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "cysasnmet_s" + - name: "Cystyl-Asparaginyl-Methionine" + - compartment: "s" + - formula: "C12H22N4O5S2" + - charge: 0 + - inchis: "1/C12H22N4O5S2/c1-23-3-2-7(12(20)21)15-11(19)8(4-9(14)17)16-10(18)6(13)5-22/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8+/s2" + - !!omap + - id: "cysaspphe_s" + - name: "Cystyl-Aspartyl-Phenylalanine" + - compartment: "s" + - formula: "C16H20N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "cyscys_s" + - name: "Cystyl-Cysteine" + - compartment: "s" + - formula: "C6H12N2O3S2" + - charge: 0 + - inchis: "1/C6H12N2O3S2/c7-3(1-12)5(9)8-4(2-13)6(10)11/h3-4,12-13H,1-2,7H2,(H,8,9)(H,10,11)/t3-,4+/s2" + - !!omap + - id: "cysglnmet_s" + - name: "Cystyl-Glutaminyl-Methionine" + - compartment: "s" + - formula: "C13H24N4O5S2" + - charge: 0 + - inchis: "1/C13H24N4O5S2/c1-24-5-4-9(13(21)22)17-12(20)8(2-3-10(15)18)16-11(19)7(14)6-23/h7-9,23H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t7-,8+,9-/s2" + - !!omap + - id: "cysgluhis_s" + - name: "Cystyl-Glutamyl-Histidine" + - compartment: "s" + - formula: "C14H20N5O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "cysglutrp_s" + - name: "Cystyl-Glutamyl-Tryptophan" + - compartment: "s" + - formula: "C19H23N4O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "cysleuthr_s" + - name: "Cystyl-Leucyl-Threonine" + - compartment: "s" + - formula: "C13H25N3O5S" + - charge: 0 + - inchis: "1/C13H25N3O5S/c1-6(2)4-9(15-11(18)8(14)5-22)12(19)16-10(7(3)17)13(20)21/h6-10,17,22H,4-5,14H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)/t7-,8-,9+,10-/s2" + - !!omap + - id: "cyssermet_s" + - name: "Cystyl-Seryl-Methionine" + - compartment: "s" + - formula: "C11H21N3O5S2" + - charge: 0 + - inchis: "1/C11H21N3O5S2/c1-21-3-2-7(11(18)19)13-10(17)8(4-15)14-9(16)6(12)5-20/h6-8,15,20H,2-5,12H2,1H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8+/s2" + - !!omap + - id: "cystyrasn_s" + - name: "Cystyl-Tyrosyl-Asparagine" + - compartment: "s" + - formula: "C16H22N4O6S" + - charge: 0 + - inchis: "1/C16H22N4O6S/c17-10(7-27)14(23)19-11(5-8-1-3-9(21)4-2-8)15(24)20-12(16(25)26)6-13(18)22/h1-4,10-12,21,27H,5-7,17H2,(H2,18,22)(H,19,23)(H,20,24)(H,25,26)/t10-,11+,12-/s2" + - !!omap + - id: "glnasngln_s" + - name: "Glutaminyl-Asparaginyl-Glutamine" + - compartment: "s" + - formula: "C14H24N6O7" + - charge: 0 + - inchis: "1/C14H24N6O7/c15-6(1-3-9(16)21)12(24)20-8(5-11(18)23)13(25)19-7(14(26)27)2-4-10(17)22/h6-8H,1-5,15H2,(H2,16,21)(H2,17,22)(H2,18,23)(H,19,25)(H,20,24)(H,26,27)/t6-,7-,8+/s2" + - !!omap + - id: "glnhishis_s" + - name: "Glutaminyl-Histidyl-Histidine" + - compartment: "s" + - formula: "C17H24N8O5" + - charge: 0 + - inchis: "1/C17H24N8O5/c18-11(1-2-14(19)26)15(27)24-12(3-9-5-20-7-22-9)16(28)25-13(17(29)30)4-10-6-21-8-23-10/h5-8,11-13H,1-4,18H2,(H2,19,26)(H,20,22)(H,21,23)(H,24,27)(H,25,28)(H,29,30)/t11-,12+,13-/s2" + - !!omap + - id: "glnhislys_s" + - name: "Glutaminyl-Histidyl-Lysine" + - compartment: "s" + - formula: "C17H30N7O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "glnlyslys_s" + - name: "Glutaminyl-Lysyl-Lysine" + - compartment: "s" + - formula: "C17H36N6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "glnlystrp_s" + - name: "Glutaminyl-Lysyl-Tryptophan" + - compartment: "s" + - formula: "C22H33N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "glnproglu_s" + - name: "Glutaminyl-Prolyl-Glutamate" + - compartment: "s" + - formula: "C15H23N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "glntrpglu_s" + - name: "Glutaminyl-Tryptophanyl-Glutamate" + - compartment: "s" + - formula: "C21H26N5O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "glntyrleu_s" + - name: "Glutaminyl-Tyrosyl-Leucine" + - compartment: "s" + - formula: "C20H30N4O6" + - charge: 0 + - inchis: "1/C20H30N4O6/c1-11(2)9-16(20(29)30)24-19(28)15(10-12-3-5-13(25)6-4-12)23-18(27)14(21)7-8-17(22)26/h3-6,11,14-16,25H,7-10,21H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t14-,15+,16-/s2" + - !!omap + - id: "gluargleu_s" + - name: "Glutaminyl-Arginyl-Leucine" + - compartment: "s" + - formula: "C17H32N6O6" + - charge: 0 + - inchis: "1/C17H32N6O6/c1-9(2)8-12(16(28)29)23-15(27)11(4-3-7-21-17(19)20)22-14(26)10(18)5-6-13(24)25/h9-12H,3-8,18H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t10-,11+,12-/s2" + - !!omap + - id: "gluasnleu_s" + - name: "Glutaminyl-Asparaginyl-Leucine" + - compartment: "s" + - formula: "C15H25N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "gluglu_s" + - name: "Glutamyl-Glutamate" + - compartment: "s" + - formula: "C10H14N2O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "gluilelys_s" + - name: "Glutamyl-Isoleucyl-Lysine" + - compartment: "s" + - formula: "C17H32N4O6" + - charge: 0 + - inchis: "1/C17H32N4O6/c1-3-10(2)14(21-15(24)11(19)7-8-13(22)23)16(25)20-12(17(26)27)6-4-5-9-18/h10-12,14H,3-9,18-19H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t10?,11-,12-,14+/s2" + - !!omap + - id: "gluleu_s" + - name: "Glutamyl-Leucine" + - compartment: "s" + - formula: "C11H19N2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "glumet_s" + - name: "Glutamyl-Methionine" + - compartment: "s" + - formula: "C10H17N2O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "glumethis_s" + - name: "Glutamyl-Methioninyl-Histidine" + - compartment: "s" + - formula: "C16H24N5O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gluthr_s" + - name: "Glutamyl-Threonine" + - compartment: "s" + - formula: "C9H15N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "gluthrlys_s" + - name: "Glutamyl-Threonyl-Lysine" + - compartment: "s" + - formula: "C15H28N4O7" + - charge: 0 + - inchis: "1/C15H28N4O7/c1-8(20)12(19-13(23)9(17)5-6-11(21)22)14(24)18-10(15(25)26)4-2-3-7-16/h8-10,12,20H,2-7,16-17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,9-,10-,12+/s2" + - !!omap + - id: "glutrpala_s" + - name: "Glutamyl-Tryptophanyl-Alanine" + - compartment: "s" + - formula: "C19H23N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "glyhisasn_s" + - name: "Glycyl-Histidyl-Asparagine" + - compartment: "s" + - formula: "C12H18N6O5" + - charge: 0 + - inchis: "1/C12H18N6O5/c13-3-10(20)17-7(1-6-4-15-5-16-6)11(21)18-8(12(22)23)2-9(14)19/h4-5,7-8H,1-3,13H2,(H2,14,19)(H,15,16)(H,17,20)(H,18,21)(H,22,23)/t7-,8+/s2" + - !!omap + - id: "glyhislys_s" + - name: "Glycyl-Histidyl-Lysine" + - compartment: "s" + - formula: "C14H25N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "glylyscys_s" + - name: "Glycyl-Lysyl-Cysteine" + - compartment: "s" + - formula: "C11H23N4O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "glylysphe_s" + - name: "Glycyl-Lysyl-Phenylalanine" + - compartment: "s" + - formula: "C17H27N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "glytyrlys_s" + - name: "Glycyl-Tyrosyl-Lysine" + - compartment: "s" + - formula: "C17H27N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "glyvalhis_s" + - name: "Glycyl-Valyl-Histidine" + - compartment: "s" + - formula: "C13H21N5O4" + - charge: 0 + - inchis: "1/C13H21N5O4/c1-7(2)11(18-10(19)4-14)12(20)17-9(13(21)22)3-8-5-15-6-16-8/h5-7,9,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,20)(H,18,19)(H,21,22)/t9-,11+/s2" + - !!omap + - id: "hisargcys_s" + - name: "Histidyl-Arginyl-Cysteine" + - compartment: "s" + - formula: "C15H27N8O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "hisargser_s" + - name: "Histidyl-Arginyl-Serine" + - compartment: "s" + - formula: "C15H27N8O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "hisasp_s" + - name: "Histidyl-Aspartate" + - compartment: "s" + - formula: "C10H13N4O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "hiscyscys_s" + - name: "Histidyl-Cystyl-Cysteine" + - compartment: "s" + - formula: "C12H19N5O4S2" + - charge: 0 + - inchis: "1/C12H19N5O4S2/c13-7(1-6-2-14-5-15-6)10(18)16-8(3-22)11(19)17-9(4-23)12(20)21/h2,5,7-9,22-23H,1,3-4,13H2,(H,14,15)(H,16,18)(H,17,19)(H,20,21)/t7-,8+,9-/s2" + - !!omap + - id: "hisglnala_s" + - name: "Histidyl-Glutaminyl-Alanine" + - compartment: "s" + - formula: "C14H22N6O5" + - charge: 0 + - inchis: "1/C14H22N6O5/c1-7(14(24)25)19-13(23)10(2-3-11(16)21)20-12(22)9(15)4-8-5-17-6-18-8/h5-7,9-10H,2-4,15H2,1H3,(H2,16,21)(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t7-,9-,10+/s2" + - !!omap + - id: "hisglu_s" + - name: "Histidyl-Glutamate" + - compartment: "s" + - formula: "C11H15N4O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "hisglugln_s" + - name: "Histidyl-Glutamyl-Glutamine" + - compartment: "s" + - formula: "C16H23N6O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "hisglylys_s" + - name: "Histidyl-Lysyl-Lysine" + - compartment: "s" + - formula: "C14H25N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hishislys_s" + - name: "Histidyl-Histidyl-Lysine" + - compartment: "s" + - formula: "C18H29N8O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hislysala_s" + - name: "Histidyl-Lysyl-Alanine" + - compartment: "s" + - formula: "C15H27N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hislysglu_s" + - name: "Histidyl-Lysyl-Glutamate" + - compartment: "s" + - formula: "C17H28N6O6" + - charge: 0 + - inchis: "1/C17H28N6O6/c18-6-2-1-3-12(16(27)23-13(17(28)29)4-5-14(24)25)22-15(26)11(19)7-10-8-20-9-21-10/h8-9,11-13H,1-7,18-19H2,(H,20,21)(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t11-,12+,13-/s2" + - !!omap + - id: "hislysile_s" + - name: "Histidyl-Lysyl-Isoleucine" + - compartment: "s" + - formula: "C18H33N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hislysthr_s" + - name: "Histidyl-Lysyl-Threonine" + - compartment: "s" + - formula: "C16H29N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "hislysval_s" + - name: "Histidyl-Lysyl-Valine" + - compartment: "s" + - formula: "C17H31N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hismet_s" + - name: "Histidyl-Methionine" + - compartment: "s" + - formula: "C11H18N4O3S" + - charge: 0 + - inchis: "1S/C11H18N4O3S/c1-19-3-2-9(11(17)18)15-10(16)8(12)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/p-1/t8-,9-/m0/s1" + - !!omap + - id: "hismetgln_s" + - name: "Histidyl-Methionyl-Glutamine" + - compartment: "s" + - formula: "C16H26N6O5S" + - charge: 0 + - inchis: "1/C16H26N6O5S/c1-28-5-4-11(15(25)22-12(16(26)27)2-3-13(18)23)21-14(24)10(17)6-9-7-19-8-20-9/h7-8,10-12H,2-6,17H2,1H3,(H2,18,23)(H,19,20)(H,21,24)(H,22,25)(H,26,27)/t10-,11+,12-/s2" + - !!omap + - id: "hisphearg_s" + - name: "Histidyl-Phenylalanyl-Arginine" + - compartment: "s" + - formula: "C21H31N8O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hisprolys_s" + - name: "Histidyl-Prolyl-Lysine" + - compartment: "s" + - formula: "C17H29N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "histrphis_s" + - name: "Histidyl-Tryptophanyl-Histidine" + - compartment: "s" + - formula: "C23H26N8O4" + - charge: 0 + - inchis: "1/C23H26N8O4/c24-17(6-14-9-25-11-28-14)21(32)30-19(5-13-8-27-18-4-2-1-3-16(13)18)22(33)31-20(23(34)35)7-15-10-26-12-29-15/h1-4,8-12,17,19-20,27H,5-7,24H2,(H,25,28)(H,26,29)(H,30,32)(H,31,33)(H,34,35)/t17-,19+,20-/s2" + - !!omap + - id: "ileargile_s" + - name: "Isoleucyl-Arginyl-Isoleucine" + - compartment: "s" + - formula: "C18H37N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "ileasnhis_s" + - name: "Isoleucyl-Asparaginyl-Histidine" + - compartment: "s" + - formula: "C16H26N6O5" + - charge: 0 + - inchis: "1/C16H26N6O5/c1-3-8(2)13(18)15(25)21-10(5-12(17)23)14(24)22-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,18H2,1-2H3,(H2,17,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8?,10-,11+,13+/s2" + - !!omap + - id: "ileasp_s" + - name: "Isolecyl-Aspartate" + - compartment: "s" + - formula: "C10H17N2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "ileglnglu_s" + - name: "Isolecyl-Glutaminyl-Glutamate" + - compartment: "s" + - formula: "C16H27N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "ileglyarg_s" + - name: "Isolecyl-Glycyl-Arginine" + - compartment: "s" + - formula: "C14H29N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "ileprolys_s" + - name: "Isolecyl-Prolyl-Lysine" + - compartment: "s" + - formula: "C17H33N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "ileserarg_s" + - name: "Isolecyl-Seryl-Arginine" + - compartment: "s" + - formula: "C15H31N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "iletrptyr_s" + - name: "Isolecyl-Tryptophanyl-Tyrosine" + - compartment: "s" + - formula: "C26H32N4O5" + - charge: 0 + - inchis: "1/C26H32N4O5/c1-3-15(2)23(27)25(33)29-21(13-17-14-28-20-7-5-4-6-19(17)20)24(32)30-22(26(34)35)12-16-8-10-18(31)11-9-16/h4-11,14-15,21-23,28,31H,3,12-13,27H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)/t15?,21-,22+,23+/s2" + - !!omap + - id: "leualaarg_s" + - name: "Leucyl-Alanyl-Arginine" + - compartment: "s" + - formula: "C15H31N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "leuasnasp_s" + - name: "Leucyl-Asparaginyl-Aspartate" + - compartment: "s" + - formula: "C14H23N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "leuasplys_s" + - name: "Leucyl-Aspartyl-Lysine" + - compartment: "s" + - formula: "C16H30N4O6" + - charge: 0 + - inchis: "1/C16H30N4O6/c1-9(2)7-10(18)14(23)20-12(8-13(21)22)15(24)19-11(16(25)26)5-3-4-6-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t10-,11-,12+/s2" + - !!omap + - id: "leuleutrp_s" + - name: "Leucyl-Leucyl-Tryptophan" + - compartment: "s" + - formula: "C23H34N4O4" + - charge: 0 + - inchis: "1/C23H34N4O4/c1-13(2)9-17(24)21(28)26-19(10-14(3)4)22(29)27-20(23(30)31)11-15-12-25-18-8-6-5-7-16(15)18/h5-8,12-14,17,19-20,25H,9-11,24H2,1-4H3,(H,26,28)(H,27,29)(H,30,31)/t17-,19+,20-/s2" + - !!omap + - id: "leupro_s" + - name: "Leucyl-Proline" + - compartment: "s" + - formula: "C11H20N2O3" + - charge: 0 + - inchis: "1/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/s2" + - !!omap + - id: "leuproarg_s" + - name: "Leucyl-Prolyl-Arginine" + - compartment: "s" + - formula: "C17H33N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "leusertrp_s" + - name: "Leucyl-Seryl-Tryptophan" + - compartment: "s" + - formula: "C20H28N4O5" + - charge: 0 + - inchis: "1S/C20H28N4O5/c1-11(2)7-14(21)18(26)24-17(10-25)19(27)23-16(20(28)29)8-12-9-22-15-6-4-3-5-13(12)15/h3-6,9,11,14,16-17,22,25H,7-8,10,21H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/p-1/t14-,16-,17-/m0/s1" + - !!omap + - id: "leutrp_s" + - name: "Leucyl-Tryptophan" + - compartment: "s" + - formula: "C17H23N3O3" + - charge: 0 + - inchis: "1/C17H23N3O3/c1-10(2)7-13(18)16(21)20-15(17(22)23)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15+/s2" + - !!omap + - id: "leutrparg_s" + - name: "Leucyl-Tryptophanyl-Arginine" + - compartment: "s" + - formula: "C23H36N7O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "leutyrtyr_s" + - name: "Leucyl-Tyrosyl-Tyrosine" + - compartment: "s" + - formula: "C24H31N3O6" + - charge: 0 + - inchis: "1/C24H31N3O6/c1-14(2)11-19(25)22(30)26-20(12-15-3-7-17(28)8-4-15)23(31)27-21(24(32)33)13-16-5-9-18(29)10-6-16/h3-10,14,19-21,28-29H,11-13,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)/t19-,20+,21-/s2" + - !!omap + - id: "leuval_s" + - name: "Leucyl-Valine" + - compartment: "s" + - formula: "C11H22N2O3" + - charge: 0 + - inchis: "1/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9+/s2" + - !!omap + - id: "lysargleu_s" + - name: "Lysyl-Arginyl-Leucine" + - compartment: "s" + - formula: "C18H38N7O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "lyscyshis_s" + - name: "Lysyl-Cysteinyl-Histidine" + - compartment: "s" + - formula: "C15H27N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "lysglnphe_s" + - name: "Lysyl-Glutaminyl-Phenylalanine" + - compartment: "s" + - formula: "C20H32N5O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "lysgluglu_s" + - name: "Lysyl-Glutamyl-Glutamate" + - compartment: "s" + - formula: "C16H27N4O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "lyslyslys_s" + - name: "Lysyl-Lysyl-Lysine" + - compartment: "s" + - formula: "C18H41N6O4" + - charge: 3 + - inchis: "" + - !!omap + - id: "lyspheile_s" + - name: "Lysyl-Phenylalanyl-Isoleucine" + - compartment: "s" + - formula: "C21H35N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "lystrparg_s" + - name: "Lysyl-Tryptophanyl-Arginine" + - compartment: "s" + - formula: "C23H38N8O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "lystyrile_s" + - name: "Lysyl-Tyrosyl-Isoleucine" + - compartment: "s" + - formula: "C21H35N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "lysvalphe_s" + - name: "Lysyl-Valyl-Phenylalanine" + - compartment: "s" + - formula: "C20H33N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "lysvaltrp_s" + - name: "Lysyl-Valyl-Tryptophan" + - compartment: "s" + - formula: "C22H34N5O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "metargleu_s" + - name: "Methionyl-Arginyl-Leucine" + - compartment: "s" + - formula: "C17H35N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "metasntyr_s" + - name: "Methionyl-Asparaginyl-Tyrosine" + - compartment: "s" + - formula: "C18H26N4O6S" + - charge: 0 + - inchis: "1/C18H26N4O6S/c1-29-7-6-12(19)16(25)21-13(9-15(20)24)17(26)22-14(18(27)28)8-10-2-4-11(23)5-3-10/h2-5,12-14,23H,6-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,26)(H,27,28)/t12-,13+,14-/s2" + - !!omap + - id: "metglntyr_s" + - name: "Methionyl-Glutaminyl-Tyrosine" + - compartment: "s" + - formula: "C19H28N4O6S" + - charge: 0 + - inchis: "1S/C19H28N4O6S/c1-30-9-8-13(20)17(26)22-14(6-7-16(21)25)18(27)23-15(19(28)29)10-11-2-4-12(24)5-3-11/h2-5,13-15,24H,6-10,20H2,1H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1" + - !!omap + - id: "metglyarg_s" + - name: "Methionyl-Glycyl-Arginine" + - compartment: "s" + - formula: "C13H27N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "methislys_s" + - name: "Methionyl-Histidyl-Lysine" + - compartment: "s" + - formula: "C17H31N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "metmetile_s" + - name: "Methionyl-Methionyl-Isoleucine" + - compartment: "s" + - formula: "C16H31N3O4S2" + - charge: 0 + - inchis: "1/C16H31N3O4S2/c1-5-10(2)13(16(22)23)19-15(21)12(7-9-25-4)18-14(20)11(17)6-8-24-3/h10-13H,5-9,17H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)/t10?,11-,12+,13?/s2" + - !!omap + - id: "metphearg_s" + - name: "Methionyl-Phenylalanyl-Arginine" + - compartment: "s" + - formula: "C20H33N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "mettrpphe_s" + - name: "Methionyl-Tryptophanyl-Phenylalanine" + - compartment: "s" + - formula: "C25H30N4O4S" + - charge: 0 + - inchis: "1/C25H30N4O4S/c1-34-12-11-19(26)23(30)28-21(14-17-15-27-20-10-6-5-9-18(17)20)24(31)29-22(25(32)33)13-16-7-3-2-4-8-16/h2-10,15,19,21-22,27H,11-14,26H2,1H3,(H,28,30)(H,29,31)(H,32,33)/t19-,21+,22-/s2" + - !!omap + - id: "pheasnmet_s" + - name: "Phenylalanyl-Asparaginyl-Methionine" + - compartment: "s" + - formula: "C18H26N4O5S" + - charge: 0 + - inchis: "1/C18H26N4O5S/c1-28-8-7-13(18(26)27)21-17(25)14(10-15(20)23)22-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/t12-,13-,14+/s2" + - !!omap + - id: "pheasp_s" + - name: "Phenylalanyl-Aspartate" + - compartment: "s" + - formula: "C13H15N2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "pheglnphe_s" + - name: "Phenylalanyl-Glutaminyl-Phenylalanine" + - compartment: "s" + - formula: "C23H28N4O5" + - charge: 0 + - inchis: "1/C23H28N4O5/c24-17(13-15-7-3-1-4-8-15)21(29)26-18(11-12-20(25)28)22(30)27-19(23(31)32)14-16-9-5-2-6-10-16/h1-10,17-19H,11-14,24H2,(H2,25,28)(H,26,29)(H,27,30)(H,31,32)/t17-,18+,19-/s2" + - !!omap + - id: "pheleu_s" + - name: "Phenylalanyl-Leucine" + - compartment: "s" + - formula: "C15H22N2O3" + - charge: 0 + - inchis: "1/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13+/s2" + - !!omap + - id: "pheleuasp_s" + - name: "Phenylalanyl-Leucyl-Aspartate" + - compartment: "s" + - formula: "C19H26N3O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "pheleuhis_s" + - name: "Phenylalanyl-Leucyl-Histidine" + - compartment: "s" + - formula: "C21H29N5O4" + - charge: 0 + - inchis: "1S/C21H29N5O4/c1-13(2)8-17(25-19(27)16(22)9-14-6-4-3-5-7-14)20(28)26-18(21(29)30)10-15-11-23-12-24-15/h3-7,11-13,16-18H,8-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t16-,17-,18-/m0/s1" + - !!omap + - id: "phelysala_s" + - name: "Phenylalanyl-Lysyl-Alanine" + - compartment: "s" + - formula: "C18H29N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "phelyspro_s" + - name: "Phenylalanyl-Lysyl-Proline" + - compartment: "s" + - formula: "C20H31N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "phephe_s" + - name: "Phenylalanyl-Phenylalanine" + - compartment: "s" + - formula: "C18H20N2O3" + - charge: 0 + - inchis: "1/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16+/s2" + - !!omap + - id: "phepheasn_s" + - name: "Phenylalanyl-Phenylalaninyl-Asparagine" + - compartment: "s" + - formula: "C22H26N4O5" + - charge: 0 + - inchis: "1/C22H26N4O5/c23-16(11-14-7-3-1-4-8-14)20(28)25-17(12-15-9-5-2-6-10-15)21(29)26-18(22(30)31)13-19(24)27/h1-10,16-18H,11-13,23H2,(H2,24,27)(H,25,28)(H,26,29)(H,30,31)/t16-,17+,18-/s2" + - !!omap + - id: "phephethr_s" + - name: "Phenylalanyl-Phenylalaninyl-Threonine" + - compartment: "s" + - formula: "C22H27N3O5" + - charge: 0 + - inchis: "1/C22H27N3O5/c1-14(26)19(22(29)30)25-21(28)18(13-16-10-6-3-7-11-16)24-20(27)17(23)12-15-8-4-2-5-9-15/h2-11,14,17-19,26H,12-13,23H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t14-,17-,18+,19-/s2" + - !!omap + - id: "pheproarg_s" + - name: "Phenylalanyl-Prolyl-Arginine" + - compartment: "s" + - formula: "C20H31N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "phesertrp_s" + - name: "Phenylalanyl-Seryl-Tryptophan" + - compartment: "s" + - formula: "C23H26N4O5" + - charge: 0 + - inchis: "1/C23H26N4O5/c24-17(10-14-6-2-1-3-7-14)21(29)27-20(13-28)22(30)26-19(23(31)32)11-15-12-25-18-9-5-4-8-16(15)18/h1-9,12,17,19-20,25,28H,10-11,13,24H2,(H,26,30)(H,27,29)(H,31,32)/t17-,19-,20+/s2" + - !!omap + - id: "phethrlys_s" + - name: "Phenylalanyl-Threonyl-Lysine" + - compartment: "s" + - formula: "C19H31N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "phetrpleu_s" + - name: "Phenylalanyl-Tryptophanyl-Leucine" + - compartment: "s" + - formula: "C26H32N4O4" + - charge: 0 + - inchis: "1/C26H32N4O4/c1-16(2)12-23(26(33)34)30-25(32)22(14-18-15-28-21-11-7-6-10-19(18)21)29-24(31)20(27)13-17-8-4-3-5-9-17/h3-11,15-16,20,22-23,28H,12-14,27H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)/t20-,22+,23-/s2" + - !!omap + - id: "phetyr_s" + - name: "Phenylalanyl-Tyrosine" + - compartment: "s" + - formula: "C18H20N2O4" + - charge: 0 + - inchis: "1/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)/t15-,16+/s2" + - !!omap + - id: "phetyrgln_s" + - name: "Phenylalanyl-Tyrosinyl-Glutamine" + - compartment: "s" + - formula: "C23H28N4O6" + - charge: 0 + - inchis: "1/C23H28N4O6/c24-17(12-14-4-2-1-3-5-14)21(30)27-19(13-15-6-8-16(28)9-7-15)22(31)26-18(23(32)33)10-11-20(25)29/h1-9,17-19,28H,10-13,24H2,(H2,25,29)(H,26,31)(H,27,30)(H,32,33)/t17-,18-,19+/s2" + - !!omap + - id: "phetyrlys_s" + - name: "Phenylalanyl-Tyrosinyl-Lysine" + - compartment: "s" + - formula: "C24H33N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "proargasp_s" + - name: "Prolyl-Arginyl-Aspartate" + - compartment: "s" + - formula: "C15H26N6O6" + - charge: 0 + - inchis: "1/C15H26N6O6/c16-15(17)19-6-2-4-9(20-12(24)8-3-1-5-18-8)13(25)21-10(14(26)27)7-11(22)23/h8-10,18H,1-7H2,(H,20,24)(H,21,25)(H,22,23)(H,26,27)(H4,16,17,19)/t8?,9-,10+/s2" + - !!omap + - id: "proargcys_s" + - name: "Prolyl-Arginyl-Cysteine" + - compartment: "s" + - formula: "C14H27N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "proasncys_s" + - name: "Prolyl-Asparaginyl-Cysteine" + - compartment: "s" + - formula: "C12H20N4O5S" + - charge: 0 + - inchis: "1/C12H20N4O5S/c13-9(17)4-7(11(19)16-8(5-22)12(20)21)15-10(18)6-2-1-3-14-6/h6-8,14,22H,1-5H2,(H2,13,17)(H,15,18)(H,16,19)(H,20,21)/t6?,7-,8+/s2" + - !!omap + - id: "procys_s" + - name: "Prolyl-Cysteine" + - compartment: "s" + - formula: "C8H14N2O3S" + - charge: 0 + - inchis: "1/C8H14N2O3S/c11-7(5-2-1-3-9-5)10-6(4-14)8(12)13/h5-6,9,14H,1-4H2,(H,10,11)(H,12,13)/t5?,6-/s2" + - !!omap + - id: "proglnpro_s" + - name: "Prolyl-Glutaminyl-Proline" + - compartment: "s" + - formula: "C15H24N4O5" + - charge: 0 + - inchis: "1/C15H24N4O5/c16-12(20)6-5-10(18-13(21)9-3-1-7-17-9)14(22)19-8-2-4-11(19)15(23)24/h9-11,17H,1-8H2,(H2,16,20)(H,18,21)(H,23,24)/t9?,10-,11-/s2" + - !!omap + - id: "proglulys_s" + - name: "Prolyl-Glutamatsyl-Lysine" + - compartment: "s" + - formula: "C16H28N4O6" + - charge: 0 + - inchis: "1/C16H28N4O6/c17-8-2-1-4-12(16(25)26)20-15(24)11(6-7-13(21)22)19-14(23)10-5-3-9-18-10/h10-12,18H,1-9,17H2,(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t10?,11-,12+/s2" + - !!omap + - id: "prohis_s" + - name: "Prolyl-Histidine" + - compartment: "s" + - formula: "C11H16N4O3" + - charge: 0 + - inchis: "1/C11H16N4O3/c16-10(8-2-1-3-13-8)15-9(11(17)18)4-7-5-12-6-14-7/h5-6,8-9,13H,1-4H2,(H,12,14)(H,15,16)(H,17,18)/t8?,9-/s2" + - !!omap + - id: "prohistyr_s" + - name: "Prolyl-Histidyl-Tyrosine" + - compartment: "s" + - formula: "C20H26N5O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "proleuarg_s" + - name: "Prolyl-Leucyl-Arginine" + - compartment: "s" + - formula: "C17H33N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "prolyspro_s" + - name: "Prolyl-Lysyl-Proline" + - compartment: "s" + - formula: "C16H29N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "prophe_s" + - name: "Prolyl-Phenylalanine" + - compartment: "s" + - formula: "C14H18N2O3" + - charge: 1 + - inchis: "1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1" + - !!omap + - id: "proproarg_s" + - name: "Prolyl-Prolyl-Arginine" + - compartment: "s" + - formula: "C16H29N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "propropro_s" + - name: "Prolyl-Prolyl-Proline" + - compartment: "s" + - formula: "C15H23N3O4" + - charge: 0 + - inchis: "1/C15H23N3O4/c19-13(10-4-1-7-16-10)17-8-2-5-11(17)14(20)18-9-3-6-12(18)15(21)22/h10-12,16H,1-9H2,(H,21,22)/t10?,11-,12+/s2" + - !!omap + - id: "protrplys_s" + - name: "Prolyl-Tryptophanyl-Lysine" + - compartment: "s" + - formula: "C22H32N5O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "protrpthr_s" + - name: "Prolyl-Tryptophanyl-Threonine" + - compartment: "s" + - formula: "C20H26N4O5" + - charge: 0 + - inchis: "1S/C20H26N4O5/c1-11(25)17(20(28)29)24-19(27)16(23-18(26)15-7-4-8-21-15)9-12-10-22-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,21-22,25H,4,7-9H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t11-,15+,16+,17+/m1/s1" + - !!omap + - id: "provalgln_s" + - name: "Prolyl-Valyl-Glutamine" + - compartment: "s" + - formula: "C15H26N4O5" + - charge: 0 + - inchis: "1/C15H26N4O5/c1-8(2)12(19-13(21)9-4-3-7-17-9)14(22)18-10(15(23)24)5-6-11(16)20/h8-10,12,17H,3-7H2,1-2H3,(H2,16,20)(H,18,22)(H,19,21)(H,23,24)/t9?,10-,12+/s2" + - !!omap + - id: "serargala_s" + - name: "Seryl-Arginyl-Alanine" + - compartment: "s" + - formula: "C12H25N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "serargtrp_s" + - name: "Seryl-Arginyl-Tryptophan" + - compartment: "s" + - formula: "C20H30N7O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "sercysarg_s" + - name: "Seryl-Cysteinyl-Arginine" + - compartment: "s" + - formula: "C12H25N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "serglyglu_s" + - name: "Seryl-Glycyl-Glutamate" + - compartment: "s" + - formula: "C10H16N3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "serlyshis_s" + - name: "Seryl-Lysyl-Histidine" + - compartment: "s" + - formula: "C15H27N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "serphelys_s" + - name: "Seryl-Phenylalanyl-Lysine" + - compartment: "s" + - formula: "C18H29N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "sertrphis_s" + - name: "Seryl-Tryptophanyl-Histidine" + - compartment: "s" + - formula: "C20H24N6O5" + - charge: 0 + - inchis: "1/C20H24N6O5/c21-14(9-27)18(28)25-16(5-11-7-23-15-4-2-1-3-13(11)15)19(29)26-17(20(30)31)6-12-8-22-10-24-12/h1-4,7-8,10,14,16-17,23,27H,5-6,9,21H2,(H,22,24)(H,25,28)(H,26,29)(H,30,31)/t14-,16+,17-/s2" + - !!omap + - id: "thrargtyr_s" + - name: "Threonyl-Arginyl-Tyrosine" + - compartment: "s" + - formula: "C19H31N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrasntyr_s" + - name: "Threonyl-Asparaginyl-Tyrosine" + - compartment: "s" + - formula: "C17H24N4O7" + - charge: 0 + - inchis: "1/C17H24N4O7/c1-8(22)14(19)16(26)20-11(7-13(18)24)15(25)21-12(17(27)28)6-9-2-4-10(23)5-3-9/h2-5,8,11-12,14,22-23H,6-7,19H2,1H3,(H2,18,24)(H,20,26)(H,21,25)(H,27,28)/t8-,11+,12-,14-/s2" + - !!omap + - id: "thrglnglu_s" + - name: "Threonyl-Glutaminyl-Glutamate" + - compartment: "s" + - formula: "C14H23N4O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "thrglntyr_s" + - name: "Threonyl-Glutaminyl-Tyrosine" + - compartment: "s" + - formula: "C18H26N4O7" + - charge: 0 + - inchis: "1/C18H26N4O7/c1-9(23)15(20)17(27)21-12(6-7-14(19)25)16(26)22-13(18(28)29)8-10-2-4-11(24)5-3-10/h2-5,9,12-13,15,23-24H,6-8,20H2,1H3,(H2,19,25)(H,21,27)(H,22,26)(H,28,29)/t9-,12+,13-,15-/s2" + - !!omap + - id: "thrhishis_s" + - name: "Threonyl-Histidinyl-Histidine" + - compartment: "s" + - formula: "C16H23N7O5" + - charge: 0 + - inchis: "1/C16H23N7O5/c1-8(24)13(17)15(26)22-11(2-9-4-18-6-20-9)14(25)23-12(16(27)28)3-10-5-19-7-21-10/h4-8,11-13,24H,2-3,17H2,1H3,(H,18,20)(H,19,21)(H,22,26)(H,23,25)(H,27,28)/t8-,11+,12-,13-/s2" + - !!omap + - id: "thrilearg_s" + - name: "Threonyl-Isoleucyl-Arginine" + - compartment: "s" + - formula: "C16H33N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrmetarg_s" + - name: "Threonyl-Methionyl-Arginine" + - compartment: "s" + - formula: "C15H31N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrphearg_s" + - name: "Threonyl-Phenylalanyl-Arginine" + - compartment: "s" + - formula: "C19H31N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrserarg_s" + - name: "Threonyl-Seryl-Arginine" + - compartment: "s" + - formula: "C13H27N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrthrarg_s" + - name: "Threonyl-Threonyl-Arginine" + - compartment: "s" + - formula: "C14H29N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrtyrmet_s" + - name: "Threonyl-Tyrosyl-Methionine" + - compartment: "s" + - formula: "C18H27N3O6S" + - charge: 0 + - inchis: "1/C18H27N3O6S/c1-10(22)15(19)17(25)21-14(9-11-3-5-12(23)6-4-11)16(24)20-13(18(26)27)7-8-28-2/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,24)(H,21,25)(H,26,27)/t10-,13-,14+,15-/s2" + - !!omap + - id: "trpalapro_s" + - name: "Tryptophanyl-Alanyl-Proline" + - compartment: "s" + - formula: "C19H24N4O4" + - charge: 0 + - inchis: "1S/C19H24N4O4/c1-11(18(25)23-8-4-7-16(23)19(26)27)22-17(24)14(20)9-12-10-21-15-6-3-2-5-13(12)15/h2-3,5-6,10-11,14,16,21H,4,7-9,20H2,1H3,(H,22,24)(H,26,27)/t11-,14-,16-/m0/s1" + - !!omap + - id: "trpargala_s" + - name: "Tryptophanyl-Arginyl-Alanine" + - compartment: "s" + - formula: "C20H30N7O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "trpaspasp_s" + - name: "Tryptophanyl-Aspartyl-Aspartate" + - compartment: "s" + - formula: "C19H20N4O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "trpglngln_s" + - name: "Tryptophanyl-Glutaminyl-Glutamine" + - compartment: "s" + - formula: "C21H28N6O6" + - charge: 0 + - inchis: "1/C21H28N6O6/c22-13(9-11-10-25-14-4-2-1-3-12(11)14)19(30)26-15(5-7-17(23)28)20(31)27-16(21(32)33)6-8-18(24)29/h1-4,10,13,15-16,25H,5-9,22H2,(H2,23,28)(H2,24,29)(H,26,30)(H,27,31)(H,32,33)/t13-,15+,16-/s2" + - !!omap + - id: "trpglugly_s" + - name: "Tryptophanyl-Glutamyl-Glycine" + - compartment: "s" + - formula: "C18H21N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpgluleu_s" + - name: "Tryptophanyl-Glutamyl-Leucine" + - compartment: "s" + - formula: "C22H29N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpglupro_s" + - name: "Tryptophanyl-Glutamyl-Proline" + - compartment: "s" + - formula: "C21H25N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpglutyr_s" + - name: "Tryptophanyl-Glutamyl-Tyrosine" + - compartment: "s" + - formula: "C25H27N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpglyleu_s" + - name: "Tryptophanyl-Glycyl-Leucine" + - compartment: "s" + - formula: "C19H26N4O4" + - charge: 0 + - inchis: "1/C19H26N4O4/c1-11(2)7-16(19(26)27)23-17(24)10-22-18(25)14(20)8-12-9-21-15-6-4-3-5-13(12)15/h3-6,9,11,14,16,21H,7-8,10,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t14-,16-/s2" + - !!omap + - id: "trpglyphe_s" + - name: "Tryptophanyl-Glycyl-Phenylalanine" + - compartment: "s" + - formula: "C22H24N4O4" + - charge: 0 + - inchis: "1/C22H24N4O4/c23-17(11-15-12-24-18-9-5-4-8-16(15)18)21(28)25-13-20(27)26-19(22(29)30)10-14-6-2-1-3-7-14/h1-9,12,17,19,24H,10-11,13,23H2,(H,25,28)(H,26,27)(H,29,30)/t17-,19-/s2" + - !!omap + - id: "trpglyval_s" + - name: "Tryptophanyl-Glycyl-Valine" + - compartment: "s" + - formula: "C18H24N4O4" + - charge: 0 + - inchis: "1/C18H24N4O4/c1-10(2)16(18(25)26)22-15(23)9-21-17(24)13(19)7-11-8-20-14-6-4-3-5-12(11)14/h3-6,8,10,13,16,20H,7,9,19H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t13-,16-/s2" + - !!omap + - id: "trphismet_s" + - name: "Tryptophanyl-Histidyl-Methionine" + - compartment: "s" + - formula: "C22H28N6O4S" + - charge: 0 + - inchis: "1/C22H28N6O4S/c1-33-7-6-18(22(31)32)27-21(30)19(9-14-11-24-12-26-14)28-20(29)16(23)8-13-10-25-17-5-3-2-4-15(13)17/h2-5,10-12,16,18-19,25H,6-9,23H2,1H3,(H,24,26)(H,27,30)(H,28,29)(H,31,32)/t16-,18-,19+/s2" + - !!omap + - id: "trpilelys_s" + - name: "Tryptophanyl-Isoleucyl-Lysine" + - compartment: "s" + - formula: "C23H36N5O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "trpiletrp_s" + - name: "Tryptophanyl-Isoleucyl-Tryptophan" + - compartment: "s" + - formula: "C28H33N5O4" + - charge: 0 + - inchis: "1S/C28H33N5O4/c1-3-16(2)25(33-26(34)21(29)12-17-14-30-22-10-6-4-8-19(17)22)27(35)32-24(28(36)37)13-18-15-31-23-11-7-5-9-20(18)23/h4-11,14-16,21,24-25,30-31H,3,12-13,29H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t16-,21-,24-,25-/m0/s1" + - !!omap + - id: "trpleuval_s" + - name: "Tryptophanyl-Leucyl-Valine" + - compartment: "s" + - formula: "C22H32N4O4" + - charge: 0 + - inchis: "1/C22H32N4O4/c1-12(2)9-18(21(28)26-19(13(3)4)22(29)30)25-20(27)16(23)10-14-11-24-17-8-6-5-7-15(14)17/h5-8,11-13,16,18-19,24H,9-10,23H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)/t16-,18+,19-/s2" + - !!omap + - id: "trplys_s" + - name: "Tryptophanyl-Lysine" + - compartment: "s" + - formula: "C17H25N4O3" + - charge: 1 + - inchis: "" + - !!omap + - id: "trpmetarg_s" + - name: "Tryptophanyl-Methionyl-Arginine" + - compartment: "s" + - formula: "C22H34N7O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "trpmetval_s" + - name: "Tryptophanyl-Methionyl-Valine" + - compartment: "s" + - formula: "C21H30N4O4S" + - charge: 0 + - inchis: "1/C21H30N4O4S/c1-12(2)18(21(28)29)25-20(27)17(8-9-30-3)24-19(26)15(22)10-13-11-23-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18,23H,8-10,22H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)/t15-,17+,18-/s2" + - !!omap + - id: "trpphe_s" + - name: "Tryptophanyl-Phenylalanine" + - compartment: "s" + - formula: "C20H21N3O3" + - charge: 0 + - inchis: "1/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18+/s2" + - !!omap + - id: "trpprogly_s" + - name: "Tryptophanyl-Prolyl-Glycine" + - compartment: "s" + - formula: "C18H21N4O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "trpproleu_s" + - name: "Tryptophanyl-Prolyl-Leucine" + - compartment: "s" + - formula: "C22H30N4O4" + - charge: 0 + - inchis: "1/C22H30N4O4/c1-13(2)10-18(22(29)30)25-20(27)19-8-5-9-26(19)21(28)16(23)11-14-12-24-17-7-4-3-6-15(14)17/h3-4,6-7,12-13,16,18-19,24H,5,8-11,23H2,1-2H3,(H,25,27)(H,29,30)/t16-,18-,19-/s2" + - !!omap + - id: "trpproval_s" + - name: "Tryptophanyl-Prolyl-Valine" + - compartment: "s" + - formula: "C21H28N4O4" + - charge: 0 + - inchis: "1/C21H28N4O4/c1-12(2)18(21(28)29)24-19(26)17-8-5-9-25(17)20(27)15(22)10-13-11-23-16-7-4-3-6-14(13)16/h3-4,6-7,11-12,15,17-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t15-,17-,18-/s2" + - !!omap + - id: "trpsertyr_s" + - name: "Tryptophanyl-Seryl-Tyrosine" + - compartment: "s" + - formula: "C23H26N4O6" + - charge: 0 + - inchis: "1/C23H26N4O6/c24-17(10-14-11-25-18-4-2-1-3-16(14)18)21(30)27-20(12-28)22(31)26-19(23(32)33)9-13-5-7-15(29)8-6-13/h1-8,11,17,19-20,25,28-29H,9-10,12,24H2,(H,26,31)(H,27,30)(H,32,33)/t17-,19-,20+/s2" + - !!omap + - id: "trpthrglu_s" + - name: "Tryptophanyl-Threonyl-Glutamate" + - compartment: "s" + - formula: "C20H25N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpthrile_s" + - name: "Tryptophanyl-Threonyl-Isoleucine" + - compartment: "s" + - formula: "C21H30N4O5" + - charge: 0 + - inchis: "1/C21H30N4O5/c1-4-11(2)17(21(29)30)24-20(28)18(12(3)26)25-19(27)15(22)9-13-10-23-16-8-6-5-7-14(13)16/h5-8,10-12,15,17-18,23,26H,4,9,22H2,1-3H3,(H,24,28)(H,25,27)(H,29,30)/t11?,12-,15-,17-,18+/s2" + - !!omap + - id: "trpthrtyr_s" + - name: "Tryptophanyl-Threonyl-Tyrosine" + - compartment: "s" + - formula: "C24H28N4O6" + - charge: 0 + - inchis: "1/C24H28N4O6/c1-13(29)21(23(32)27-20(24(33)34)10-14-6-8-16(30)9-7-14)28-22(31)18(25)11-15-12-26-19-5-3-2-4-17(15)19/h2-9,12-13,18,20-21,26,29-30H,10-11,25H2,1H3,(H,27,32)(H,28,31)(H,33,34)/t13-,18-,20-,21+/s2" + - !!omap + - id: "trptyrgln_s" + - name: "Tryptophanyl-Tyrosyl-Glutamine" + - compartment: "s" + - formula: "C25H29N5O6" + - charge: 0 + - inchis: "1S/C25H29N5O6/c26-18(12-15-13-28-19-4-2-1-3-17(15)19)23(33)30-21(11-14-5-7-16(31)8-6-14)24(34)29-20(25(35)36)9-10-22(27)32/h1-8,13,18,20-21,28,31H,9-12,26H2,(H2,27,32)(H,29,34)(H,30,33)(H,35,36)/t18-,20-,21-/m0/s1" + - !!omap + - id: "trptyrtyr_s" + - name: "Tryptophanyl-Tyrosyl-Tyrosine" + - compartment: "s" + - formula: "C29H30N4O6" + - charge: 0 + - inchis: "1/C29H30N4O6/c30-23(15-19-16-31-24-4-2-1-3-22(19)24)27(36)32-25(13-17-5-9-20(34)10-6-17)28(37)33-26(29(38)39)14-18-7-11-21(35)12-8-18/h1-12,16,23,25-26,31,34-35H,13-15,30H2,(H,32,36)(H,33,37)(H,38,39)/t23-,25+,26-/s2" + - !!omap + - id: "trpvalasp_s" + - name: "Tryptophanyl-Valyl-Aspartate" + - compartment: "s" + - formula: "C20H25N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "tyrala_s" + - name: "Tyrosyl-Alanine" + - compartment: "s" + - formula: "C12H16N2O4" + - charge: 0 + - inchis: "1/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10+/s2" + - !!omap + - id: "tyralaphe_s" + - name: "Tyrosyl-Alaninyl-Phenylalanine" + - compartment: "s" + - formula: "C21H25N3O5" + - charge: 0 + - inchis: "1/C21H25N3O5/c1-13(23-20(27)17(22)11-15-7-9-16(25)10-8-15)19(26)24-18(21(28)29)12-14-5-3-2-4-6-14/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,27)(H,24,26)(H,28,29)/t13-,17+,18+/s2" + - !!omap + - id: "tyrargglu_s" + - name: "Tyrosyl-Arginyl-Glutamate" + - compartment: "s" + - formula: "C20H30N6O7" + - charge: 0 + - inchis: "1/C20H30N6O7/c21-13(10-11-3-5-12(27)6-4-11)17(30)25-14(2-1-9-24-20(22)23)18(31)26-15(19(32)33)7-8-16(28)29/h3-6,13-15,27H,1-2,7-10,21H2,(H,25,30)(H,26,31)(H,28,29)(H,32,33)(H4,22,23,24)/t13-,14+,15-/s2" + - !!omap + - id: "tyrargser_s" + - name: "Tyrosyl-Arginyl-Serine" + - compartment: "s" + - formula: "C18H29N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "tyrasparg_s" + - name: "Tyrosyl-Aspartyl-Arginine" + - compartment: "s" + - formula: "C19H28N6O7" + - charge: 0 + - inchis: "1/C19H28N6O7/c20-12(8-10-3-5-11(26)6-4-10)16(29)25-14(9-15(27)28)17(30)24-13(18(31)32)2-1-7-23-19(21)22/h3-6,12-14,26H,1-2,7-9,20H2,(H,24,30)(H,25,29)(H,27,28)(H,31,32)(H4,21,22,23)/t12-,13-,14+/s2" + - !!omap + - id: "tyrcysgly_s" + - name: "Tyrosyl-Cysteinyl-Glycine" + - compartment: "s" + - formula: "C14H19N3O5S" + - charge: 0 + - inchis: "1/C14H19N3O5S/c15-10(5-8-1-3-9(18)4-2-8)13(21)17-11(7-23)14(22)16-6-12(19)20/h1-4,10-11,18,23H,5-7,15H2,(H,16,22)(H,17,21)(H,19,20)/t10-,11+/s2" + - !!omap + - id: "tyrcysthr_s" + - name: "Tyrosyl-Cysteinyl-Threonine" + - compartment: "s" + - formula: "C16H23N3O6S" + - charge: 0 + - inchis: "1/C16H23N3O6S/c1-8(20)13(16(24)25)19-15(23)12(7-26)18-14(22)11(17)6-9-2-4-10(21)5-3-9/h2-5,8,11-13,20-21,26H,6-7,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t8-,11-,12+,13-/s2" + - !!omap + - id: "tyrglu_s" + - name: "Tyrosyl-Glutamate" + - compartment: "s" + - formula: "C14H17N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "tyrleuarg_s" + - name: "Tyrosyl-Leucyl-Arginine" + - compartment: "s" + - formula: "C21H35N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "tyrphetyr_s" + - name: "Tyrosyl-Phenylalanyl-Tyrosine" + - compartment: "s" + - formula: "C27H29N3O6" + - charge: 0 + - inchis: "1/C27H29N3O6/c28-22(14-18-6-10-20(31)11-7-18)25(33)29-23(15-17-4-2-1-3-5-17)26(34)30-24(27(35)36)16-19-8-12-21(32)13-9-19/h1-13,22-24,31-32H,14-16,28H2,(H,29,33)(H,30,34)(H,35,36)/t22-,23+,24-/s2" + - !!omap + - id: "tyrthr_s" + - name: "Tyrosyl-Threonine" + - compartment: "s" + - formula: "C13H18N2O5" + - charge: 0 + - inchis: "1/C13H18N2O5/c1-7(16)11(13(19)20)15-12(18)10(14)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)/t7-,10-,11+/s2" + - !!omap + - id: "tyrtrpphe_s" + - name: "Tyrosyl-Tryptophanyl-Phenylalanine" + - compartment: "s" + - formula: "C29H30N4O5" + - charge: 0 + - inchis: "1S/C29H30N4O5/c30-23(14-19-10-12-21(34)13-11-19)27(35)32-25(16-20-17-31-24-9-5-4-8-22(20)24)28(36)33-26(29(37)38)15-18-6-2-1-3-7-18/h1-13,17,23,25-26,31,34H,14-16,30H2,(H,32,35)(H,33,36)(H,37,38)/t23-,25-,26-/m0/s1" + - !!omap + - id: "tyrtyr_s" + - name: "Tyrosyl-Tyrosine" + - compartment: "s" + - formula: "C18H20N2O5" + - charge: 0 + - inchis: "1/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16+/s2" + - !!omap + - id: "tyrvalmet_s" + - name: "Tyrosyl-Valyl-Methionine" + - compartment: "s" + - formula: "C19H29N3O5S" + - charge: 0 + - inchis: "1/C19H29N3O5S/c1-11(2)16(18(25)21-15(19(26)27)8-9-28-3)22-17(24)14(20)10-12-4-6-13(23)7-5-12/h4-7,11,14-16,23H,8-10,20H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)/t14-,15-,16+/s2" + - !!omap + - id: "valarggly_s" + - name: "Valyl-Arginyl-Glycine" + - compartment: "s" + - formula: "C13H27N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "valhisasn_s" + - name: "Valyl-Histidyl-Asparagine" + - compartment: "s" + - formula: "C15H24N6O5" + - charge: 0 + - inchis: "1/C15H24N6O5/c1-7(2)12(17)14(24)20-9(3-8-5-18-6-19-8)13(23)21-10(15(25)26)4-11(16)22/h5-7,9-10,12H,3-4,17H2,1-2H3,(H2,16,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10+,12+/s2" + - !!omap + - id: "valleuphe_s" + - name: "Valyl-Leucyl-Phenylalanine" + - compartment: "s" + - formula: "C20H31N3O4" + - charge: 0 + - inchis: "1/C20H31N3O4/c1-12(2)10-15(22-19(25)17(21)13(3)4)18(24)23-16(20(26)27)11-14-8-6-5-7-9-14/h5-9,12-13,15-17H,10-11,21H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)/t15-,16+,17+/s2" + - !!omap + - id: "vallystyr_s" + - name: "Valyl-Lysyl-Tyrosine" + - compartment: "s" + - formula: "C20H33N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "valphearg_s" + - name: "Valyl-Phenylalanyl-Arginine" + - compartment: "s" + - formula: "C20H33N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "valprotrp_s" + - name: "Valyl-Prolyl-Tryptophan" + - compartment: "s" + - formula: "C21H28N4O4" + - charge: 0 + - inchis: "1S/C21H28N4O4/c1-12(2)18(22)20(27)25-9-5-8-17(25)19(26)24-16(21(28)29)10-13-11-23-15-7-4-3-6-14(13)15/h3-4,6-7,11-12,16-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t16-,17-,18-/m0/s1" + - !!omap + - id: "valserarg_s" + - name: "Valyl-Seryl-Arginine" + - compartment: "s" + - formula: "C14H29N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "valtrpphe_s" + - name: "Valyl-Tryptophanyl-Phenylalanine" + - compartment: "s" + - formula: "C25H30N4O4" + - charge: 0 + - inchis: "1/C25H30N4O4/c1-15(2)22(26)24(31)28-20(13-17-14-27-19-11-7-6-10-18(17)19)23(30)29-21(25(32)33)12-16-8-4-3-5-9-16/h3-11,14-15,20-22,27H,12-13,26H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t20-,21+,22+/s2" + - !!omap + - id: "valtrpval_s" + - name: "Valyl-Tryptophanyl-Valine" + - compartment: "s" + - formula: "C21H30N4O4" + - charge: 0 + - inchis: "1/C21H30N4O4/c1-11(2)17(22)20(27)24-16(19(26)25-18(12(3)4)21(28)29)9-13-10-23-15-8-6-5-7-14(13)15/h5-8,10-12,16-18,23H,9,22H2,1-4H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17+,18+/s2" + - !!omap + - id: "valval_s" + - name: "Valyl-Valine" + - compartment: "s" + - formula: "C10H20N2O3" + - charge: 0 + - inchis: "1/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8+/s2" + - !!omap + - id: "trpglyasp_s" + - name: "Tryptophanyl-Glycyl-Aspartate" + - compartment: "s" + - formula: "C17H19N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "alaargcys_c" + - name: "Alanyl-Arginyl-Cysteine" + - compartment: "c" + - formula: "C12H25N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "alaarggly_c" + - name: "Alanyl-Arginyl-Glycine" + - compartment: "c" + - formula: "C11H23N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "alaasnleu_c" + - name: "Alanyl-Asparaginyl-Leucine" + - compartment: "c" + - formula: "C13H24N4O5" + - charge: 0 + - inchis: "1/C13H24N4O5/c1-6(2)4-9(13(21)22)17-12(20)8(5-10(15)18)16-11(19)7(3)14/h6-9H,4-5,14H2,1-3H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)" + - !!omap + - id: "alaglylys_c" + - name: "Alanyl-Glycyl-Lysine" + - compartment: "c" + - formula: "C11H23N4O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "alahisala_c" + - name: "Alanyl-Histidyl-Alanine" + - compartment: "c" + - formula: "C12H19N5O4" + - charge: 0 + - inchis: "1S/C12H19N5O4/c1-6(13)10(18)17-9(3-8-4-14-5-15-8)11(19)16-7(2)12(20)21/h4-7,9H,3,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)(H,20,21)/t6-,7-,9-/m0/s1" + - !!omap + - id: "alalysthr_c" + - name: "Alanyl-Lysine-Threonine" + - compartment: "c" + - formula: "C13H27N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argalaala_c" + - name: "Arginyl-Alanyl-Alanine" + - compartment: "c" + - formula: "C12H25N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "argalaphe_c" + - name: "Arginyl-Alanine-Phenylalanine" + - compartment: "c" + - formula: "C18H29N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "argalathr_c" + - name: "Arginyl-Alanyl-Threonine" + - compartment: "c" + - formula: "C13H27N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argarg_c" + - name: "Arginyl-Arginine" + - compartment: "c" + - formula: "C12H28N8O3" + - charge: 2 + - inchis: "" + - !!omap + - id: "argarglys_c" + - name: "Arginyl-Arginyl-Lysine" + - compartment: "c" + - formula: "C18H41N10O4" + - charge: 3 + - inchis: "" + - !!omap + - id: "argargmet_c" + - name: "Arginyl-Arginyl-Metheonine" + - compartment: "c" + - formula: "C17H37N9O4S" + - charge: 2 + - inchis: "" + - !!omap + - id: "argcysgly_c" + - name: "Arginyl-Cystinyl-Glycine" + - compartment: "c" + - formula: "C11H23N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "argcysser_c" + - name: "Arginyl-Cystinyl-Serine" + - compartment: "c" + - formula: "C12H25N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "arggluglu_c" + - name: "Arginyl-Glutamyl-Glutamate" + - compartment: "c" + - formula: "C16H27N6O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "argglupro_c" + - name: "Arginyl-Glutamyl-Proline" + - compartment: "c" + - formula: "C16H28N6O6" + - charge: 0 + - inchis: "1/C16H28N6O6/c17-9(3-1-7-20-16(18)19)13(25)21-10(5-6-12(23)24)14(26)22-8-2-4-11(22)15(27)28/h9-11H,1-8,17H2,(H,21,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10+,11-/s2" + - !!omap + - id: "argglygly_c" + - name: "Arginyl-Glycyl-Glycine" + - compartment: "c" + - formula: "C10H21N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "arghisthr_c" + - name: "Arginyl-Histidyl-Threonine" + - compartment: "c" + - formula: "C16H29N8O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argleuphe_c" + - name: "Arginyl-Leucyl-Phenylalanine" + - compartment: "c" + - formula: "C21H35N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "arglysasp_c" + - name: "Arginyl-Lysyl-Aspartate" + - compartment: "c" + - formula: "C16H32N7O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "argphearg_c" + - name: "Arginyl-Phenylalanine-Arginine" + - compartment: "c" + - formula: "C21H37N9O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "argpromet_c" + - name: "Arginyl-Prolyl-Methionine" + - compartment: "c" + - formula: "C16H31N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "argprothr_c" + - name: "Arginyl-Prolyl-Threonine" + - compartment: "c" + - formula: "C15H29N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argserser_c" + - name: "Arginyl-Seryl-Serine" + - compartment: "c" + - formula: "C12H25N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "argtyrval_c" + - name: "Argtyrval" + - compartment: "c" + - formula: "C20H33N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "argvalcys_c" + - name: "Arginyl-Valyl-Cysteine" + - compartment: "c" + - formula: "C14H29N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "argvaltrp_c" + - name: "Arginyl-Valyl-Tryptophan" + - compartment: "c" + - formula: "C22H34N7O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "asnasnarg_c" + - name: "Asparaginyl-Asparaginyl-Arginine" + - compartment: "c" + - formula: "C14H27N8O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "asncyscys_c" + - name: "Asparaginyl-Cysteinyl-Cysteine" + - compartment: "c" + - formula: "C10H18N4O5S2" + - charge: 0 + - inchis: "1S/C10H18N4O5S2/c11-4(1-7(12)15)8(16)13-5(2-20)9(17)14-6(3-21)10(18)19/h4-6,20-21H,1-3,11H2,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/t4-,5-,6-/m0/s1" + - !!omap + - id: "asnmetpro_c" + - name: "Asparaginyl-Methionyl-Proline" + - compartment: "c" + - formula: "C14H24N4O5S" + - charge: 0 + - inchis: "1/C14H24N4O5S/c1-24-6-4-9(17-12(20)8(15)7-11(16)19)13(21)18-5-2-3-10(18)14(22)23/h8-10H,2-7,15H2,1H3,(H2,16,19)(H,17,20)(H,22,23)/t8-,9+,10?/s2" + - !!omap + - id: "asnpheasp_c" + - name: "Asparaginyl-Phenylalanyl-Aspartate" + - compartment: "c" + - formula: "C17H21N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "asnphecys_c" + - name: "Asparaginyl-Phenylalanyl-Cysteine" + - compartment: "c" + - formula: "C16H22N4O5S" + - charge: 0 + - inchis: "1/C16H22N4O5S/c17-10(7-13(18)21)14(22)19-11(6-9-4-2-1-3-5-9)15(23)20-12(8-26)16(24)25/h1-5,10-12,26H,6-8,17H2,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t10-,11+,12-/s2" + - !!omap + - id: "asntyrgly_c" + - name: "Asparaginyl-Tyrosyl-Glycine" + - compartment: "c" + - formula: "C15H20N4O6" + - charge: 0 + - inchis: "1/C15H20N4O6/c16-10(6-12(17)21)14(24)19-11(15(25)18-7-13(22)23)5-8-1-3-9(20)4-2-8/h1-4,10-11,20H,5-7,16H2,(H2,17,21)(H,18,25)(H,19,24)(H,22,23)/t10-,11+/s2" + - !!omap + - id: "asntyrphe_c" + - name: "Asparaginyl-Tyrosyl-Phenylalanine" + - compartment: "c" + - formula: "C22H26N4O6" + - charge: 0 + - inchis: "1/C22H26N4O6/c23-16(12-19(24)28)20(29)25-17(10-14-6-8-15(27)9-7-14)21(30)26-18(22(31)32)11-13-4-2-1-3-5-13/h1-9,16-18,27H,10-12,23H2,(H2,24,28)(H,25,29)(H,26,30)(H,31,32)/t16-,17+,18-/s2" + - !!omap + - id: "asntyrthr_c" + - name: "Asparaginyl-Tyrosyl-Threonine" + - compartment: "c" + - formula: "C17H24N4O7" + - charge: 0 + - inchis: "1/C17H24N4O7/c1-8(22)14(17(27)28)21-16(26)12(6-9-2-4-10(23)5-3-9)20-15(25)11(18)7-13(19)24/h2-5,8,11-12,14,22-23H,6-7,18H2,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,27,28)/t8-,11+,12-,14+/s2" + - !!omap + - id: "aspalaarg_c" + - name: "Asparaginyl-Alanyl-Arginine" + - compartment: "c" + - formula: "C13H24N6O6" + - charge: 0 + - inchis: "1/C13H24N6O6/c1-6(18-11(23)7(14)5-9(20)21)10(22)19-8(12(24)25)3-2-4-17-13(15)16/h6-8H,2-5,14H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)(H4,15,16,17)/t6-,7+,8+/s2" + - !!omap + - id: "aspasnglu_c" + - name: "Aspartyl-Asparaginyl-Glutamate" + - compartment: "c" + - formula: "C13H18N4O9" + - charge: -2 + - inchis: "" + - !!omap + - id: "aspglu_c" + - name: "Aspartyl-Glutamate" + - compartment: "c" + - formula: "C9H12N2O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "aspglupro_c" + - name: "Aspartyl-Glutamyl-Proline" + - compartment: "c" + - formula: "C14H19N3O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "aspglutrp_c" + - name: "Aspartyl-Glutamyl-Tryptophan" + - compartment: "c" + - formula: "C20H22N4O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "asphiscys_c" + - name: "Aspartyl-Histidyl-Cysteine" + - compartment: "c" + - formula: "C13H18N5O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "asphispro_c" + - name: "Aspartyl-Histidyl-Proline" + - compartment: "c" + - formula: "C15H20N5O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "asplysglu_c" + - name: "Aspartyl-Lysyl-Glutamate" + - compartment: "c" + - formula: "C15H25N4O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "asplyshis_c" + - name: "Aspartyl-Lysyl-Histidine" + - compartment: "c" + - formula: "C16H26N6O6" + - charge: 0 + - inchis: "1/C16H26N6O6/c17-4-2-1-3-11(21-14(25)10(18)6-13(23)24)15(26)22-12(16(27)28)5-9-7-19-8-20-9/h7-8,10-12H,1-6,17-18H2,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t10-,11+,12-/s2" + - !!omap + - id: "aspmetasp_c" + - name: "Aspartyl-Methionyl-Aspartate" + - compartment: "c" + - formula: "C13H19N3O8S" + - charge: -2 + - inchis: "" + - !!omap + - id: "aspprolys_c" + - name: "Aspartyl-Prolyl-Lysine" + - compartment: "c" + - formula: "C15H26N4O6" + - charge: 0 + - inchis: "1/C15H26N4O6/c16-6-2-1-4-10(15(24)25)18-13(22)11-5-3-7-19(11)14(23)9(17)8-12(20)21/h9-11H,1-8,16-17H2,(H,18,22)(H,20,21)(H,24,25)/t9-,10-,11-/s2" + - !!omap + - id: "aspvalasn_c" + - name: "Aspartyl-Valyl-Asparagine" + - compartment: "c" + - formula: "C13H21N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "cysasnmet_c" + - name: "Cystyl-Asparaginyl-Methionine" + - compartment: "c" + - formula: "C12H22N4O5S2" + - charge: 0 + - inchis: "1/C12H22N4O5S2/c1-23-3-2-7(12(20)21)15-11(19)8(4-9(14)17)16-10(18)6(13)5-22/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8+/s2" + - !!omap + - id: "cysaspphe_c" + - name: "Cystyl-Aspartyl-Phenylalanine" + - compartment: "c" + - formula: "C16H20N3O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "cyscys_c" + - name: "Cystyl-Cysteine" + - compartment: "c" + - formula: "C6H12N2O3S2" + - charge: 0 + - inchis: "1/C6H12N2O3S2/c7-3(1-12)5(9)8-4(2-13)6(10)11/h3-4,12-13H,1-2,7H2,(H,8,9)(H,10,11)/t3-,4+/s2" + - !!omap + - id: "cysglnmet_c" + - name: "Cystyl-Glutaminyl-Methionine" + - compartment: "c" + - formula: "C13H24N4O5S2" + - charge: 0 + - inchis: "1/C13H24N4O5S2/c1-24-5-4-9(13(21)22)17-12(20)8(2-3-10(15)18)16-11(19)7(14)6-23/h7-9,23H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t7-,8+,9-/s2" + - !!omap + - id: "cysgluhis_c" + - name: "Cystyl-Glutamyl-Histidine" + - compartment: "c" + - formula: "C14H20N5O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "cysglutrp_c" + - name: "Cystyl-Glutamyl-Tryptophan" + - compartment: "c" + - formula: "C19H23N4O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "cysleuthr_c" + - name: "Cystyl-Leucyl-Threonine" + - compartment: "c" + - formula: "C13H25N3O5S" + - charge: 0 + - inchis: "1/C13H25N3O5S/c1-6(2)4-9(15-11(18)8(14)5-22)12(19)16-10(7(3)17)13(20)21/h6-10,17,22H,4-5,14H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)/t7-,8-,9+,10-/s2" + - !!omap + - id: "cyssermet_c" + - name: "Cystyl-Seryl-Methionine" + - compartment: "c" + - formula: "C11H21N3O5S2" + - charge: 0 + - inchis: "1/C11H21N3O5S2/c1-21-3-2-7(11(18)19)13-10(17)8(4-15)14-9(16)6(12)5-20/h6-8,15,20H,2-5,12H2,1H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8+/s2" + - !!omap + - id: "cystyrasn_c" + - name: "Cystyl-Tyrosyl-Asparagine" + - compartment: "c" + - formula: "C16H22N4O6S" + - charge: 0 + - inchis: "1/C16H22N4O6S/c17-10(7-27)14(23)19-11(5-8-1-3-9(21)4-2-8)15(24)20-12(16(25)26)6-13(18)22/h1-4,10-12,21,27H,5-7,17H2,(H2,18,22)(H,19,23)(H,20,24)(H,25,26)/t10-,11+,12-/s2" + - !!omap + - id: "glnasngln_c" + - name: "Glutaminyl-Asparaginyl-Glutamine" + - compartment: "c" + - formula: "C14H24N6O7" + - charge: 0 + - inchis: "1/C14H24N6O7/c15-6(1-3-9(16)21)12(24)20-8(5-11(18)23)13(25)19-7(14(26)27)2-4-10(17)22/h6-8H,1-5,15H2,(H2,16,21)(H2,17,22)(H2,18,23)(H,19,25)(H,20,24)(H,26,27)/t6-,7-,8+/s2" + - !!omap + - id: "glnhishis_c" + - name: "Glutaminyl-Histidyl-Histidine" + - compartment: "c" + - formula: "C17H24N8O5" + - charge: 0 + - inchis: "1/C17H24N8O5/c18-11(1-2-14(19)26)15(27)24-12(3-9-5-20-7-22-9)16(28)25-13(17(29)30)4-10-6-21-8-23-10/h5-8,11-13H,1-4,18H2,(H2,19,26)(H,20,22)(H,21,23)(H,24,27)(H,25,28)(H,29,30)/t11-,12+,13-/s2" + - !!omap + - id: "glnhislys_c" + - name: "Glutaminyl-Histidyl-Lysine" + - compartment: "c" + - formula: "C17H30N7O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "glnlyslys_c" + - name: "Glutaminyl-Lysyl-Lysine" + - compartment: "c" + - formula: "C17H36N6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "glnlystrp_c" + - name: "Glutaminyl-Lysyl-Tryptophan" + - compartment: "c" + - formula: "C22H33N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "glnproglu_c" + - name: "Glutaminyl-Prolyl-Glutamate" + - compartment: "c" + - formula: "C15H23N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "glntrpglu_c" + - name: "Glutaminyl-Tryptophanyl-Glutamate" + - compartment: "c" + - formula: "C21H26N5O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "glntyrleu_c" + - name: "Glutaminyl-Tyrosyl-Leucine" + - compartment: "c" + - formula: "C20H30N4O6" + - charge: 0 + - inchis: "1/C20H30N4O6/c1-11(2)9-16(20(29)30)24-19(28)15(10-12-3-5-13(25)6-4-12)23-18(27)14(21)7-8-17(22)26/h3-6,11,14-16,25H,7-10,21H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t14-,15+,16-/s2" + - !!omap + - id: "gluargleu_c" + - name: "Glutaminyl-Arginyl-Leucine" + - compartment: "c" + - formula: "C17H32N6O6" + - charge: 0 + - inchis: "1/C17H32N6O6/c1-9(2)8-12(16(28)29)23-15(27)11(4-3-7-21-17(19)20)22-14(26)10(18)5-6-13(24)25/h9-12H,3-8,18H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t10-,11+,12-/s2" + - !!omap + - id: "gluasnleu_c" + - name: "Glutaminyl-Asparaginyl-Leucine" + - compartment: "c" + - formula: "C15H25N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "gluglu_c" + - name: "Glutamyl-Glutamate" + - compartment: "c" + - formula: "C10H14N2O7" + - charge: -2 + - inchis: "" + - !!omap + - id: "gluilelys_c" + - name: "Glutamyl-Isoleucyl-Lysine" + - compartment: "c" + - formula: "C17H32N4O6" + - charge: 0 + - inchis: "1/C17H32N4O6/c1-3-10(2)14(21-15(24)11(19)7-8-13(22)23)16(25)20-12(17(26)27)6-4-5-9-18/h10-12,14H,3-9,18-19H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t10?,11-,12-,14+/s2" + - !!omap + - id: "gluleu_c" + - name: "Glutamyl-Leucine" + - compartment: "c" + - formula: "C11H19N2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "glumet_c" + - name: "Glutamyl-Methionine" + - compartment: "c" + - formula: "C10H17N2O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "glumethis_c" + - name: "Glutamyl-Methioninyl-Histidine" + - compartment: "c" + - formula: "C16H24N5O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gluthr_c" + - name: "Glutamyl-Threonine" + - compartment: "c" + - formula: "C9H15N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "gluthrlys_c" + - name: "Glutamyl-Threonyl-Lysine" + - compartment: "c" + - formula: "C15H28N4O7" + - charge: 0 + - inchis: "1/C15H28N4O7/c1-8(20)12(19-13(23)9(17)5-6-11(21)22)14(24)18-10(15(25)26)4-2-3-7-16/h8-10,12,20H,2-7,16-17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,9-,10-,12+/s2" + - !!omap + - id: "glutrpala_c" + - name: "Glutamyl-Tryptophanyl-Alanine" + - compartment: "c" + - formula: "C19H23N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "glyhisasn_c" + - name: "Glycyl-Histidyl-Asparagine" + - compartment: "c" + - formula: "C12H18N6O5" + - charge: 0 + - inchis: "1/C12H18N6O5/c13-3-10(20)17-7(1-6-4-15-5-16-6)11(21)18-8(12(22)23)2-9(14)19/h4-5,7-8H,1-3,13H2,(H2,14,19)(H,15,16)(H,17,20)(H,18,21)(H,22,23)/t7-,8+/s2" + - !!omap + - id: "glyhislys_c" + - name: "Glycyl-Histidyl-Lysine" + - compartment: "c" + - formula: "C14H25N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "glylyscys_c" + - name: "Glycyl-Lysyl-Cysteine" + - compartment: "c" + - formula: "C11H23N4O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "glylysphe_c" + - name: "Glycyl-Lysyl-Phenylalanine" + - compartment: "c" + - formula: "C17H27N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "glytyrlys_c" + - name: "Glycyl-Tyrosyl-Lysine" + - compartment: "c" + - formula: "C17H27N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "glyvalhis_c" + - name: "Glycyl-Valyl-Histidine" + - compartment: "c" + - formula: "C13H21N5O4" + - charge: 0 + - inchis: "1/C13H21N5O4/c1-7(2)11(18-10(19)4-14)12(20)17-9(13(21)22)3-8-5-15-6-16-8/h5-7,9,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,20)(H,18,19)(H,21,22)/t9-,11+/s2" + - !!omap + - id: "hisargcys_c" + - name: "Histidyl-Arginyl-Cysteine" + - compartment: "c" + - formula: "C15H27N8O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "hisargser_c" + - name: "Histidyl-Arginyl-Serine" + - compartment: "c" + - formula: "C15H27N8O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "hisasp_c" + - name: "Histidyl-Aspartate" + - compartment: "c" + - formula: "C10H13N4O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "hiscyscys_c" + - name: "Histidyl-Cystyl-Cysteine" + - compartment: "c" + - formula: "C12H19N5O4S2" + - charge: 0 + - inchis: "1/C12H19N5O4S2/c13-7(1-6-2-14-5-15-6)10(18)16-8(3-22)11(19)17-9(4-23)12(20)21/h2,5,7-9,22-23H,1,3-4,13H2,(H,14,15)(H,16,18)(H,17,19)(H,20,21)/t7-,8+,9-/s2" + - !!omap + - id: "hisglnala_c" + - name: "Histidyl-Glutaminyl-Alanine" + - compartment: "c" + - formula: "C14H22N6O5" + - charge: 0 + - inchis: "1/C14H22N6O5/c1-7(14(24)25)19-13(23)10(2-3-11(16)21)20-12(22)9(15)4-8-5-17-6-18-8/h5-7,9-10H,2-4,15H2,1H3,(H2,16,21)(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t7-,9-,10+/s2" + - !!omap + - id: "hisglu_c" + - name: "Histidyl-Glutamate" + - compartment: "c" + - formula: "C11H15N4O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "hisglugln_c" + - name: "Histidyl-Glutamyl-Glutamine" + - compartment: "c" + - formula: "C16H23N6O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "hisglylys_c" + - name: "Histidyl-Lysyl-Lysine" + - compartment: "c" + - formula: "C14H25N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hishislys_c" + - name: "Histidyl-Histidyl-Lysine" + - compartment: "c" + - formula: "C18H29N8O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hislysala_c" + - name: "Histidyl-Lysyl-Alanine" + - compartment: "c" + - formula: "C15H27N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hislysglu_c" + - name: "Histidyl-Lysyl-Glutamate" + - compartment: "c" + - formula: "C17H28N6O6" + - charge: 0 + - inchis: "1/C17H28N6O6/c18-6-2-1-3-12(16(27)23-13(17(28)29)4-5-14(24)25)22-15(26)11(19)7-10-8-20-9-21-10/h8-9,11-13H,1-7,18-19H2,(H,20,21)(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t11-,12+,13-/s2" + - !!omap + - id: "hislysile_c" + - name: "Histidyl-Lysyl-Isoleucine" + - compartment: "c" + - formula: "C18H33N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hislysthr_c" + - name: "Histidyl-Lysyl-Threonine" + - compartment: "c" + - formula: "C16H29N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "hislysval_c" + - name: "Histidyl-Lysyl-Valine" + - compartment: "c" + - formula: "C17H31N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hismet_c" + - name: "Histidyl-Methionine" + - compartment: "c" + - formula: "C11H18N4O3S" + - charge: 0 + - inchis: "1S/C11H18N4O3S/c1-19-3-2-9(11(17)18)15-10(16)8(12)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/p-1/t8-,9-/m0/s1" + - !!omap + - id: "hismetgln_c" + - name: "Histidyl-Methionyl-Glutamine" + - compartment: "c" + - formula: "C16H26N6O5S" + - charge: 0 + - inchis: "1/C16H26N6O5S/c1-28-5-4-11(15(25)22-12(16(26)27)2-3-13(18)23)21-14(24)10(17)6-9-7-19-8-20-9/h7-8,10-12H,2-6,17H2,1H3,(H2,18,23)(H,19,20)(H,21,24)(H,22,25)(H,26,27)/t10-,11+,12-/s2" + - !!omap + - id: "hisphearg_c" + - name: "Histidyl-Phenylalanyl-Arginine" + - compartment: "c" + - formula: "C21H31N8O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "hisprolys_c" + - name: "Histidyl-Prolyl-Lysine" + - compartment: "c" + - formula: "C17H29N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "histrphis_c" + - name: "Histidyl-Tryptophanyl-Histidine" + - compartment: "c" + - formula: "C23H26N8O4" + - charge: 0 + - inchis: "1/C23H26N8O4/c24-17(6-14-9-25-11-28-14)21(32)30-19(5-13-8-27-18-4-2-1-3-16(13)18)22(33)31-20(23(34)35)7-15-10-26-12-29-15/h1-4,8-12,17,19-20,27H,5-7,24H2,(H,25,28)(H,26,29)(H,30,32)(H,31,33)(H,34,35)/t17-,19+,20-/s2" + - !!omap + - id: "ileargile_c" + - name: "Isoleucyl-Arginyl-Isoleucine" + - compartment: "c" + - formula: "C18H37N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "ileasnhis_c" + - name: "Isoleucyl-Asparaginyl-Histidine" + - compartment: "c" + - formula: "C16H26N6O5" + - charge: 0 + - inchis: "1/C16H26N6O5/c1-3-8(2)13(18)15(25)21-10(5-12(17)23)14(24)22-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,18H2,1-2H3,(H2,17,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8?,10-,11+,13+/s2" + - !!omap + - id: "ileasp_c" + - name: "Isolecyl-Aspartate" + - compartment: "c" + - formula: "C10H17N2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "ileglnglu_c" + - name: "Isolecyl-Glutaminyl-Glutamate" + - compartment: "c" + - formula: "C16H27N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "ileglyarg_c" + - name: "Isolecyl-Glycyl-Arginine" + - compartment: "c" + - formula: "C14H29N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "ileprolys_c" + - name: "Isolecyl-Prolyl-Lysine" + - compartment: "c" + - formula: "C17H33N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "ileserarg_c" + - name: "Isolecyl-Seryl-Arginine" + - compartment: "c" + - formula: "C15H31N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "iletrptyr_c" + - name: "Isolecyl-Tryptophanyl-Tyrosine" + - compartment: "c" + - formula: "C26H32N4O5" + - charge: 0 + - inchis: "1/C26H32N4O5/c1-3-15(2)23(27)25(33)29-21(13-17-14-28-20-7-5-4-6-19(17)20)24(32)30-22(26(34)35)12-16-8-10-18(31)11-9-16/h4-11,14-15,21-23,28,31H,3,12-13,27H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)/t15?,21-,22+,23+/s2" + - !!omap + - id: "leualaarg_c" + - name: "Leucyl-Alanyl-Arginine" + - compartment: "c" + - formula: "C15H31N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "leuasnasp_c" + - name: "Leucyl-Asparaginyl-Aspartate" + - compartment: "c" + - formula: "C14H23N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "leuasplys_c" + - name: "Leucyl-Aspartyl-Lysine" + - compartment: "c" + - formula: "C16H30N4O6" + - charge: 0 + - inchis: "1/C16H30N4O6/c1-9(2)7-10(18)14(23)20-12(8-13(21)22)15(24)19-11(16(25)26)5-3-4-6-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t10-,11-,12+/s2" + - !!omap + - id: "leuleutrp_c" + - name: "Leucyl-Leucyl-Tryptophan" + - compartment: "c" + - formula: "C23H34N4O4" + - charge: 0 + - inchis: "1/C23H34N4O4/c1-13(2)9-17(24)21(28)26-19(10-14(3)4)22(29)27-20(23(30)31)11-15-12-25-18-8-6-5-7-16(15)18/h5-8,12-14,17,19-20,25H,9-11,24H2,1-4H3,(H,26,28)(H,27,29)(H,30,31)/t17-,19+,20-/s2" + - !!omap + - id: "leupro_c" + - name: "Leucyl-Proline" + - compartment: "c" + - formula: "C11H20N2O3" + - charge: 0 + - inchis: "1/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/s2" + - !!omap + - id: "leuproarg_c" + - name: "Leucyl-Prolyl-Arginine" + - compartment: "c" + - formula: "C17H33N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "leusertrp_c" + - name: "Leucyl-Seryl-Tryptophan" + - compartment: "c" + - formula: "C20H28N4O5" + - charge: 0 + - inchis: "1S/C20H28N4O5/c1-11(2)7-14(21)18(26)24-17(10-25)19(27)23-16(20(28)29)8-12-9-22-15-6-4-3-5-13(12)15/h3-6,9,11,14,16-17,22,25H,7-8,10,21H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/p-1/t14-,16-,17-/m0/s1" + - !!omap + - id: "leutrp_c" + - name: "Leucyl-Tryptophan" + - compartment: "c" + - formula: "C17H23N3O3" + - charge: 0 + - inchis: "1/C17H23N3O3/c1-10(2)7-13(18)16(21)20-15(17(22)23)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15+/s2" + - !!omap + - id: "leutrparg_c" + - name: "Leucyl-Tryptophanyl-Arginine" + - compartment: "c" + - formula: "C23H36N7O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "leutyrtyr_c" + - name: "Leucyl-Tyrosyl-Tyrosine" + - compartment: "c" + - formula: "C24H31N3O6" + - charge: 0 + - inchis: "1/C24H31N3O6/c1-14(2)11-19(25)22(30)26-20(12-15-3-7-17(28)8-4-15)23(31)27-21(24(32)33)13-16-5-9-18(29)10-6-16/h3-10,14,19-21,28-29H,11-13,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)/t19-,20+,21-/s2" + - !!omap + - id: "leuval_c" + - name: "Leucyl-Valine" + - compartment: "c" + - formula: "C11H22N2O3" + - charge: 0 + - inchis: "1/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9+/s2" + - !!omap + - id: "lysargleu_c" + - name: "Lysyl-Arginyl-Leucine" + - compartment: "c" + - formula: "C18H38N7O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "lyscyshis_c" + - name: "Lysyl-Cysteinyl-Histidine" + - compartment: "c" + - formula: "C15H27N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "lysglnphe_c" + - name: "Lysyl-Glutaminyl-Phenylalanine" + - compartment: "c" + - formula: "C20H32N5O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "lysgluglu_c" + - name: "Lysyl-Glutamyl-Glutamate" + - compartment: "c" + - formula: "C16H27N4O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "lyslyslys_c" + - name: "Lysyl-Lysyl-Lysine" + - compartment: "c" + - formula: "C18H41N6O4" + - charge: 3 + - inchis: "" + - !!omap + - id: "lyspheile_c" + - name: "Lysyl-Phenylalanyl-Isoleucine" + - compartment: "c" + - formula: "C21H35N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "lystrparg_c" + - name: "Lysyl-Tryptophanyl-Arginine" + - compartment: "c" + - formula: "C23H38N8O4" + - charge: 2 + - inchis: "" + - !!omap + - id: "lystyrile_c" + - name: "Lysyl-Tyrosyl-Isoleucine" + - compartment: "c" + - formula: "C21H35N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "lysvalphe_c" + - name: "Lysyl-Valyl-Phenylalanine" + - compartment: "c" + - formula: "C20H33N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "lysvaltrp_c" + - name: "Lysyl-Valyl-Tryptophan" + - compartment: "c" + - formula: "C22H34N5O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "metargleu_c" + - name: "Methionyl-Arginyl-Leucine" + - compartment: "c" + - formula: "C17H35N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "metasntyr_c" + - name: "Methionyl-Asparaginyl-Tyrosine" + - compartment: "c" + - formula: "C18H26N4O6S" + - charge: 0 + - inchis: "1/C18H26N4O6S/c1-29-7-6-12(19)16(25)21-13(9-15(20)24)17(26)22-14(18(27)28)8-10-2-4-11(23)5-3-10/h2-5,12-14,23H,6-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,26)(H,27,28)/t12-,13+,14-/s2" + - !!omap + - id: "metglntyr_c" + - name: "Methionyl-Glutaminyl-Tyrosine" + - compartment: "c" + - formula: "C19H28N4O6S" + - charge: 0 + - inchis: "1S/C19H28N4O6S/c1-30-9-8-13(20)17(26)22-14(6-7-16(21)25)18(27)23-15(19(28)29)10-11-2-4-12(24)5-3-11/h2-5,13-15,24H,6-10,20H2,1H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1" + - !!omap + - id: "metglyarg_c" + - name: "Methionyl-Glycyl-Arginine" + - compartment: "c" + - formula: "C13H27N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "methislys_c" + - name: "Methionyl-Histidyl-Lysine" + - compartment: "c" + - formula: "C17H31N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "metmetile_c" + - name: "Methionyl-Methionyl-Isoleucine" + - compartment: "c" + - formula: "C16H31N3O4S2" + - charge: 0 + - inchis: "1/C16H31N3O4S2/c1-5-10(2)13(16(22)23)19-15(21)12(7-9-25-4)18-14(20)11(17)6-8-24-3/h10-13H,5-9,17H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)/t10?,11-,12+,13?/s2" + - !!omap + - id: "metphearg_c" + - name: "Methionyl-Phenylalanyl-Arginine" + - compartment: "c" + - formula: "C20H33N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "mettrpphe_c" + - name: "Methionyl-Tryptophanyl-Phenylalanine" + - compartment: "c" + - formula: "C25H30N4O4S" + - charge: 0 + - inchis: "1/C25H30N4O4S/c1-34-12-11-19(26)23(30)28-21(14-17-15-27-20-10-6-5-9-18(17)20)24(31)29-22(25(32)33)13-16-7-3-2-4-8-16/h2-10,15,19,21-22,27H,11-14,26H2,1H3,(H,28,30)(H,29,31)(H,32,33)/t19-,21+,22-/s2" + - !!omap + - id: "pheasnmet_c" + - name: "Phenylalanyl-Asparaginyl-Methionine" + - compartment: "c" + - formula: "C18H26N4O5S" + - charge: 0 + - inchis: "1/C18H26N4O5S/c1-28-8-7-13(18(26)27)21-17(25)14(10-15(20)23)22-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/t12-,13-,14+/s2" + - !!omap + - id: "pheasp_c" + - name: "Phenylalanyl-Aspartate" + - compartment: "c" + - formula: "C13H15N2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "pheglnphe_c" + - name: "Phenylalanyl-Glutaminyl-Phenylalanine" + - compartment: "c" + - formula: "C23H28N4O5" + - charge: 0 + - inchis: "1/C23H28N4O5/c24-17(13-15-7-3-1-4-8-15)21(29)26-18(11-12-20(25)28)22(30)27-19(23(31)32)14-16-9-5-2-6-10-16/h1-10,17-19H,11-14,24H2,(H2,25,28)(H,26,29)(H,27,30)(H,31,32)/t17-,18+,19-/s2" + - !!omap + - id: "pheleu_c" + - name: "Phenylalanyl-Leucine" + - compartment: "c" + - formula: "C15H22N2O3" + - charge: 0 + - inchis: "1/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13+/s2" + - !!omap + - id: "pheleuasp_c" + - name: "Phenylalanyl-Leucyl-Aspartate" + - compartment: "c" + - formula: "C19H26N3O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "pheleuhis_c" + - name: "Phenylalanyl-Leucyl-Histidine" + - compartment: "c" + - formula: "C21H29N5O4" + - charge: 0 + - inchis: "1S/C21H29N5O4/c1-13(2)8-17(25-19(27)16(22)9-14-6-4-3-5-7-14)20(28)26-18(21(29)30)10-15-11-23-12-24-15/h3-7,11-13,16-18H,8-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t16-,17-,18-/m0/s1" + - !!omap + - id: "phelysala_c" + - name: "Phenylalanyl-Lysyl-Alanine" + - compartment: "c" + - formula: "C18H29N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "phelyspro_c" + - name: "Phenylalanyl-Lysyl-Proline" + - compartment: "c" + - formula: "C20H31N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "phephe_c" + - name: "Phenylalanyl-Phenylalanine" + - compartment: "c" + - formula: "C18H20N2O3" + - charge: 0 + - inchis: "1/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16+/s2" + - !!omap + - id: "phepheasn_c" + - name: "Phenylalanyl-Phenylalaninyl-Asparagine" + - compartment: "c" + - formula: "C22H26N4O5" + - charge: 0 + - inchis: "1/C22H26N4O5/c23-16(11-14-7-3-1-4-8-14)20(28)25-17(12-15-9-5-2-6-10-15)21(29)26-18(22(30)31)13-19(24)27/h1-10,16-18H,11-13,23H2,(H2,24,27)(H,25,28)(H,26,29)(H,30,31)/t16-,17+,18-/s2" + - !!omap + - id: "phephethr_c" + - name: "Phenylalanyl-Phenylalaninyl-Threonine" + - compartment: "c" + - formula: "C22H27N3O5" + - charge: 0 + - inchis: "1/C22H27N3O5/c1-14(26)19(22(29)30)25-21(28)18(13-16-10-6-3-7-11-16)24-20(27)17(23)12-15-8-4-2-5-9-15/h2-11,14,17-19,26H,12-13,23H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t14-,17-,18+,19-/s2" + - !!omap + - id: "pheproarg_c" + - name: "Phenylalanyl-Prolyl-Arginine" + - compartment: "c" + - formula: "C20H31N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "phesertrp_c" + - name: "Phenylalanyl-Seryl-Tryptophan" + - compartment: "c" + - formula: "C23H26N4O5" + - charge: 0 + - inchis: "1/C23H26N4O5/c24-17(10-14-6-2-1-3-7-14)21(29)27-20(13-28)22(30)26-19(23(31)32)11-15-12-25-18-9-5-4-8-16(15)18/h1-9,12,17,19-20,25,28H,10-11,13,24H2,(H,26,30)(H,27,29)(H,31,32)/t17-,19-,20+/s2" + - !!omap + - id: "phethrlys_c" + - name: "Phenylalanyl-Threonyl-Lysine" + - compartment: "c" + - formula: "C19H31N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "phetrpleu_c" + - name: "Phenylalanyl-Tryptophanyl-Leucine" + - compartment: "c" + - formula: "C26H32N4O4" + - charge: 0 + - inchis: "1/C26H32N4O4/c1-16(2)12-23(26(33)34)30-25(32)22(14-18-15-28-21-11-7-6-10-19(18)21)29-24(31)20(27)13-17-8-4-3-5-9-17/h3-11,15-16,20,22-23,28H,12-14,27H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)/t20-,22+,23-/s2" + - !!omap + - id: "phetyr_c" + - name: "Phenylalanyl-Tyrosine" + - compartment: "c" + - formula: "C18H20N2O4" + - charge: 0 + - inchis: "1/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)/t15-,16+/s2" + - !!omap + - id: "phetyrgln_c" + - name: "Phenylalanyl-Tyrosinyl-Glutamine" + - compartment: "c" + - formula: "C23H28N4O6" + - charge: 0 + - inchis: "1/C23H28N4O6/c24-17(12-14-4-2-1-3-5-14)21(30)27-19(13-15-6-8-16(28)9-7-15)22(31)26-18(23(32)33)10-11-20(25)29/h1-9,17-19,28H,10-13,24H2,(H2,25,29)(H,26,31)(H,27,30)(H,32,33)/t17-,18-,19+/s2" + - !!omap + - id: "phetyrlys_c" + - name: "Phenylalanyl-Tyrosinyl-Lysine" + - compartment: "c" + - formula: "C24H33N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "proargasp_c" + - name: "Prolyl-Arginyl-Aspartate" + - compartment: "c" + - formula: "C15H26N6O6" + - charge: 0 + - inchis: "1/C15H26N6O6/c16-15(17)19-6-2-4-9(20-12(24)8-3-1-5-18-8)13(25)21-10(14(26)27)7-11(22)23/h8-10,18H,1-7H2,(H,20,24)(H,21,25)(H,22,23)(H,26,27)(H4,16,17,19)/t8?,9-,10+/s2" + - !!omap + - id: "proargcys_c" + - name: "Prolyl-Arginyl-Cysteine" + - compartment: "c" + - formula: "C14H27N6O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "proasncys_c" + - name: "Prolyl-Asparaginyl-Cysteine" + - compartment: "c" + - formula: "C12H20N4O5S" + - charge: 0 + - inchis: "1/C12H20N4O5S/c13-9(17)4-7(11(19)16-8(5-22)12(20)21)15-10(18)6-2-1-3-14-6/h6-8,14,22H,1-5H2,(H2,13,17)(H,15,18)(H,16,19)(H,20,21)/t6?,7-,8+/s2" + - !!omap + - id: "procys_c" + - name: "Prolyl-Cysteine" + - compartment: "c" + - formula: "C8H14N2O3S" + - charge: 0 + - inchis: "1/C8H14N2O3S/c11-7(5-2-1-3-9-5)10-6(4-14)8(12)13/h5-6,9,14H,1-4H2,(H,10,11)(H,12,13)/t5?,6-/s2" + - !!omap + - id: "proglnpro_c" + - name: "Prolyl-Glutaminyl-Proline" + - compartment: "c" + - formula: "C15H24N4O5" + - charge: 0 + - inchis: "1/C15H24N4O5/c16-12(20)6-5-10(18-13(21)9-3-1-7-17-9)14(22)19-8-2-4-11(19)15(23)24/h9-11,17H,1-8H2,(H2,16,20)(H,18,21)(H,23,24)/t9?,10-,11-/s2" + - !!omap + - id: "proglulys_c" + - name: "Prolyl-Glutamatsyl-Lysine" + - compartment: "c" + - formula: "C16H28N4O6" + - charge: 0 + - inchis: "1/C16H28N4O6/c17-8-2-1-4-12(16(25)26)20-15(24)11(6-7-13(21)22)19-14(23)10-5-3-9-18-10/h10-12,18H,1-9,17H2,(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t10?,11-,12+/s2" + - !!omap + - id: "prohis_c" + - name: "Prolyl-Histidine" + - compartment: "c" + - formula: "C11H16N4O3" + - charge: 0 + - inchis: "1/C11H16N4O3/c16-10(8-2-1-3-13-8)15-9(11(17)18)4-7-5-12-6-14-7/h5-6,8-9,13H,1-4H2,(H,12,14)(H,15,16)(H,17,18)/t8?,9-/s2" + - !!omap + - id: "prohistyr_c" + - name: "Prolyl-Histidyl-Tyrosine" + - compartment: "c" + - formula: "C20H26N5O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "proleuarg_c" + - name: "Prolyl-Leucyl-Arginine" + - compartment: "c" + - formula: "C17H33N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "prolyspro_c" + - name: "Prolyl-Lysyl-Proline" + - compartment: "c" + - formula: "C16H29N4O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "prophe_c" + - name: "Prolyl-Phenylalanine" + - compartment: "c" + - formula: "C14H18N2O3" + - charge: 1 + - inchis: "1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1" + - !!omap + - id: "proproarg_c" + - name: "Prolyl-Prolyl-Arginine" + - compartment: "c" + - formula: "C16H29N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "propropro_c" + - name: "Prolyl-Prolyl-Proline" + - compartment: "c" + - formula: "C15H23N3O4" + - charge: 0 + - inchis: "1/C15H23N3O4/c19-13(10-4-1-7-16-10)17-8-2-5-11(17)14(20)18-9-3-6-12(18)15(21)22/h10-12,16H,1-9H2,(H,21,22)/t10?,11-,12+/s2" + - !!omap + - id: "protrplys_c" + - name: "Prolyl-Tryptophanyl-Lysine" + - compartment: "c" + - formula: "C22H32N5O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "protrpthr_c" + - name: "Prolyl-Tryptophanyl-Threonine" + - compartment: "c" + - formula: "C20H26N4O5" + - charge: 0 + - inchis: "1S/C20H26N4O5/c1-11(25)17(20(28)29)24-19(27)16(23-18(26)15-7-4-8-21-15)9-12-10-22-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,21-22,25H,4,7-9H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t11-,15+,16+,17+/m1/s1" + - !!omap + - id: "provalgln_c" + - name: "Prolyl-Valyl-Glutamine" + - compartment: "c" + - formula: "C15H26N4O5" + - charge: 0 + - inchis: "1/C15H26N4O5/c1-8(2)12(19-13(21)9-4-3-7-17-9)14(22)18-10(15(23)24)5-6-11(16)20/h8-10,12,17H,3-7H2,1-2H3,(H2,16,20)(H,18,22)(H,19,21)(H,23,24)/t9?,10-,12+/s2" + - !!omap + - id: "serargala_c" + - name: "Seryl-Arginyl-Alanine" + - compartment: "c" + - formula: "C12H25N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "serargtrp_c" + - name: "Seryl-Arginyl-Tryptophan" + - compartment: "c" + - formula: "C20H30N7O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "sercysarg_c" + - name: "Seryl-Cysteinyl-Arginine" + - compartment: "c" + - formula: "C12H25N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "serglyglu_c" + - name: "Seryl-Glycyl-Glutamate" + - compartment: "c" + - formula: "C10H16N3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "serlyshis_c" + - name: "Seryl-Lysyl-Histidine" + - compartment: "c" + - formula: "C15H27N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "serphelys_c" + - name: "Seryl-Phenylalanyl-Lysine" + - compartment: "c" + - formula: "C18H29N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "sertrphis_c" + - name: "Seryl-Tryptophanyl-Histidine" + - compartment: "c" + - formula: "C20H24N6O5" + - charge: 0 + - inchis: "1/C20H24N6O5/c21-14(9-27)18(28)25-16(5-11-7-23-15-4-2-1-3-13(11)15)19(29)26-17(20(30)31)6-12-8-22-10-24-12/h1-4,7-8,10,14,16-17,23,27H,5-6,9,21H2,(H,22,24)(H,25,28)(H,26,29)(H,30,31)/t14-,16+,17-/s2" + - !!omap + - id: "thrargtyr_c" + - name: "Threonyl-Arginyl-Tyrosine" + - compartment: "c" + - formula: "C19H31N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrasntyr_c" + - name: "Threonyl-Asparaginyl-Tyrosine" + - compartment: "c" + - formula: "C17H24N4O7" + - charge: 0 + - inchis: "1/C17H24N4O7/c1-8(22)14(19)16(26)20-11(7-13(18)24)15(25)21-12(17(27)28)6-9-2-4-10(23)5-3-9/h2-5,8,11-12,14,22-23H,6-7,19H2,1H3,(H2,18,24)(H,20,26)(H,21,25)(H,27,28)/t8-,11+,12-,14-/s2" + - !!omap + - id: "thrglnglu_c" + - name: "Threonyl-Glutaminyl-Glutamate" + - compartment: "c" + - formula: "C14H23N4O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "thrglntyr_c" + - name: "Threonyl-Glutaminyl-Tyrosine" + - compartment: "c" + - formula: "C18H26N4O7" + - charge: 0 + - inchis: "1/C18H26N4O7/c1-9(23)15(20)17(27)21-12(6-7-14(19)25)16(26)22-13(18(28)29)8-10-2-4-11(24)5-3-10/h2-5,9,12-13,15,23-24H,6-8,20H2,1H3,(H2,19,25)(H,21,27)(H,22,26)(H,28,29)/t9-,12+,13-,15-/s2" + - !!omap + - id: "thrhishis_c" + - name: "Threonyl-Histidinyl-Histidine" + - compartment: "c" + - formula: "C16H23N7O5" + - charge: 0 + - inchis: "1/C16H23N7O5/c1-8(24)13(17)15(26)22-11(2-9-4-18-6-20-9)14(25)23-12(16(27)28)3-10-5-19-7-21-10/h4-8,11-13,24H,2-3,17H2,1H3,(H,18,20)(H,19,21)(H,22,26)(H,23,25)(H,27,28)/t8-,11+,12-,13-/s2" + - !!omap + - id: "thrilearg_c" + - name: "Threonyl-Isoleucyl-Arginine" + - compartment: "c" + - formula: "C16H33N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrmetarg_c" + - name: "Threonyl-Methionyl-Arginine" + - compartment: "c" + - formula: "C15H31N6O5S" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrphearg_c" + - name: "Threonyl-Phenylalanyl-Arginine" + - compartment: "c" + - formula: "C19H31N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrserarg_c" + - name: "Threonyl-Seryl-Arginine" + - compartment: "c" + - formula: "C13H27N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrthrarg_c" + - name: "Threonyl-Threonyl-Arginine" + - compartment: "c" + - formula: "C14H29N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "thrtyrmet_c" + - name: "Threonyl-Tyrosyl-Methionine" + - compartment: "c" + - formula: "C18H27N3O6S" + - charge: 0 + - inchis: "1/C18H27N3O6S/c1-10(22)15(19)17(25)21-14(9-11-3-5-12(23)6-4-11)16(24)20-13(18(26)27)7-8-28-2/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,24)(H,21,25)(H,26,27)/t10-,13-,14+,15-/s2" + - !!omap + - id: "trpalapro_c" + - name: "Tryptophanyl-Alanyl-Proline" + - compartment: "c" + - formula: "C19H24N4O4" + - charge: 0 + - inchis: "1S/C19H24N4O4/c1-11(18(25)23-8-4-7-16(23)19(26)27)22-17(24)14(20)9-12-10-21-15-6-3-2-5-13(12)15/h2-3,5-6,10-11,14,16,21H,4,7-9,20H2,1H3,(H,22,24)(H,26,27)/t11-,14-,16-/m0/s1" + - !!omap + - id: "trpargala_c" + - name: "Tryptophanyl-Arginyl-Alanine" + - compartment: "c" + - formula: "C20H30N7O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "trpaspasp_c" + - name: "Tryptophanyl-Aspartyl-Aspartate" + - compartment: "c" + - formula: "C19H20N4O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "trpglngln_c" + - name: "Tryptophanyl-Glutaminyl-Glutamine" + - compartment: "c" + - formula: "C21H28N6O6" + - charge: 0 + - inchis: "1/C21H28N6O6/c22-13(9-11-10-25-14-4-2-1-3-12(11)14)19(30)26-15(5-7-17(23)28)20(31)27-16(21(32)33)6-8-18(24)29/h1-4,10,13,15-16,25H,5-9,22H2,(H2,23,28)(H2,24,29)(H,26,30)(H,27,31)(H,32,33)/t13-,15+,16-/s2" + - !!omap + - id: "trpglugly_c" + - name: "Tryptophanyl-Glutamyl-Glycine" + - compartment: "c" + - formula: "C18H21N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpgluleu_c" + - name: "Tryptophanyl-Glutamyl-Leucine" + - compartment: "c" + - formula: "C22H29N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpglupro_c" + - name: "Tryptophanyl-Glutamyl-Proline" + - compartment: "c" + - formula: "C21H25N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpglutyr_c" + - name: "Tryptophanyl-Glutamyl-Tyrosine" + - compartment: "c" + - formula: "C25H27N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpglyleu_c" + - name: "Tryptophanyl-Glycyl-Leucine" + - compartment: "c" + - formula: "C19H26N4O4" + - charge: 0 + - inchis: "1/C19H26N4O4/c1-11(2)7-16(19(26)27)23-17(24)10-22-18(25)14(20)8-12-9-21-15-6-4-3-5-13(12)15/h3-6,9,11,14,16,21H,7-8,10,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t14-,16-/s2" + - !!omap + - id: "trpglyphe_c" + - name: "Tryptophanyl-Glycyl-Phenylalanine" + - compartment: "c" + - formula: "C22H24N4O4" + - charge: 0 + - inchis: "1/C22H24N4O4/c23-17(11-15-12-24-18-9-5-4-8-16(15)18)21(28)25-13-20(27)26-19(22(29)30)10-14-6-2-1-3-7-14/h1-9,12,17,19,24H,10-11,13,23H2,(H,25,28)(H,26,27)(H,29,30)/t17-,19-/s2" + - !!omap + - id: "trpglyval_c" + - name: "Tryptophanyl-Glycyl-Valine" + - compartment: "c" + - formula: "C18H24N4O4" + - charge: 0 + - inchis: "1/C18H24N4O4/c1-10(2)16(18(25)26)22-15(23)9-21-17(24)13(19)7-11-8-20-14-6-4-3-5-12(11)14/h3-6,8,10,13,16,20H,7,9,19H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t13-,16-/s2" + - !!omap + - id: "trphismet_c" + - name: "Tryptophanyl-Histidyl-Methionine" + - compartment: "c" + - formula: "C22H28N6O4S" + - charge: 0 + - inchis: "1/C22H28N6O4S/c1-33-7-6-18(22(31)32)27-21(30)19(9-14-11-24-12-26-14)28-20(29)16(23)8-13-10-25-17-5-3-2-4-15(13)17/h2-5,10-12,16,18-19,25H,6-9,23H2,1H3,(H,24,26)(H,27,30)(H,28,29)(H,31,32)/t16-,18-,19+/s2" + - !!omap + - id: "trpilelys_c" + - name: "Tryptophanyl-Isoleucyl-Lysine" + - compartment: "c" + - formula: "C23H36N5O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "trpiletrp_c" + - name: "Tryptophanyl-Isoleucyl-Tryptophan" + - compartment: "c" + - formula: "C28H33N5O4" + - charge: 0 + - inchis: "1S/C28H33N5O4/c1-3-16(2)25(33-26(34)21(29)12-17-14-30-22-10-6-4-8-19(17)22)27(35)32-24(28(36)37)13-18-15-31-23-11-7-5-9-20(18)23/h4-11,14-16,21,24-25,30-31H,3,12-13,29H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t16-,21-,24-,25-/m0/s1" + - !!omap + - id: "trpleuval_c" + - name: "Tryptophanyl-Leucyl-Valine" + - compartment: "c" + - formula: "C22H32N4O4" + - charge: 0 + - inchis: "1/C22H32N4O4/c1-12(2)9-18(21(28)26-19(13(3)4)22(29)30)25-20(27)16(23)10-14-11-24-17-8-6-5-7-15(14)17/h5-8,11-13,16,18-19,24H,9-10,23H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)/t16-,18+,19-/s2" + - !!omap + - id: "trplys_c" + - name: "Tryptophanyl-Lysine" + - compartment: "c" + - formula: "C17H25N4O3" + - charge: 1 + - inchis: "" + - !!omap + - id: "trpmetarg_c" + - name: "Tryptophanyl-Methionyl-Arginine" + - compartment: "c" + - formula: "C22H34N7O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "trpmetval_c" + - name: "Tryptophanyl-Methionyl-Valine" + - compartment: "c" + - formula: "C21H30N4O4S" + - charge: 0 + - inchis: "1/C21H30N4O4S/c1-12(2)18(21(28)29)25-20(27)17(8-9-30-3)24-19(26)15(22)10-13-11-23-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18,23H,8-10,22H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)/t15-,17+,18-/s2" + - !!omap + - id: "trpphe_c" + - name: "Tryptophanyl-Phenylalanine" + - compartment: "c" + - formula: "C20H21N3O3" + - charge: 0 + - inchis: "1/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18+/s2" + - !!omap + - id: "trpprogly_c" + - name: "Tryptophanyl-Prolyl-Glycine" + - compartment: "c" + - formula: "C18H21N4O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "trpproleu_c" + - name: "Tryptophanyl-Prolyl-Leucine" + - compartment: "c" + - formula: "C22H30N4O4" + - charge: 0 + - inchis: "1/C22H30N4O4/c1-13(2)10-18(22(29)30)25-20(27)19-8-5-9-26(19)21(28)16(23)11-14-12-24-17-7-4-3-6-15(14)17/h3-4,6-7,12-13,16,18-19,24H,5,8-11,23H2,1-2H3,(H,25,27)(H,29,30)/t16-,18-,19-/s2" + - !!omap + - id: "trpproval_c" + - name: "Tryptophanyl-Prolyl-Valine" + - compartment: "c" + - formula: "C21H28N4O4" + - charge: 0 + - inchis: "1/C21H28N4O4/c1-12(2)18(21(28)29)24-19(26)17-8-5-9-25(17)20(27)15(22)10-13-11-23-16-7-4-3-6-14(13)16/h3-4,6-7,11-12,15,17-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t15-,17-,18-/s2" + - !!omap + - id: "trpsertyr_c" + - name: "Tryptophanyl-Seryl-Tyrosine" + - compartment: "c" + - formula: "C23H26N4O6" + - charge: 0 + - inchis: "1/C23H26N4O6/c24-17(10-14-11-25-18-4-2-1-3-16(14)18)21(30)27-20(12-28)22(31)26-19(23(32)33)9-13-5-7-15(29)8-6-13/h1-8,11,17,19-20,25,28-29H,9-10,12,24H2,(H,26,31)(H,27,30)(H,32,33)/t17-,19-,20+/s2" + - !!omap + - id: "trpthrglu_c" + - name: "Tryptophanyl-Threonyl-Glutamate" + - compartment: "c" + - formula: "C20H25N4O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "trpthrile_c" + - name: "Tryptophanyl-Threonyl-Isoleucine" + - compartment: "c" + - formula: "C21H30N4O5" + - charge: 0 + - inchis: "1/C21H30N4O5/c1-4-11(2)17(21(29)30)24-20(28)18(12(3)26)25-19(27)15(22)9-13-10-23-16-8-6-5-7-14(13)16/h5-8,10-12,15,17-18,23,26H,4,9,22H2,1-3H3,(H,24,28)(H,25,27)(H,29,30)/t11?,12-,15-,17-,18+/s2" + - !!omap + - id: "trpthrtyr_c" + - name: "Tryptophanyl-Threonyl-Tyrosine" + - compartment: "c" + - formula: "C24H28N4O6" + - charge: 0 + - inchis: "1/C24H28N4O6/c1-13(29)21(23(32)27-20(24(33)34)10-14-6-8-16(30)9-7-14)28-22(31)18(25)11-15-12-26-19-5-3-2-4-17(15)19/h2-9,12-13,18,20-21,26,29-30H,10-11,25H2,1H3,(H,27,32)(H,28,31)(H,33,34)/t13-,18-,20-,21+/s2" + - !!omap + - id: "trptyrgln_c" + - name: "Tryptophanyl-Tyrosyl-Glutamine" + - compartment: "c" + - formula: "C25H29N5O6" + - charge: 0 + - inchis: "1S/C25H29N5O6/c26-18(12-15-13-28-19-4-2-1-3-17(15)19)23(33)30-21(11-14-5-7-16(31)8-6-14)24(34)29-20(25(35)36)9-10-22(27)32/h1-8,13,18,20-21,28,31H,9-12,26H2,(H2,27,32)(H,29,34)(H,30,33)(H,35,36)/t18-,20-,21-/m0/s1" + - !!omap + - id: "trptyrtyr_c" + - name: "Tryptophanyl-Tyrosyl-Tyrosine" + - compartment: "c" + - formula: "C29H30N4O6" + - charge: 0 + - inchis: "1/C29H30N4O6/c30-23(15-19-16-31-24-4-2-1-3-22(19)24)27(36)32-25(13-17-5-9-20(34)10-6-17)28(37)33-26(29(38)39)14-18-7-11-21(35)12-8-18/h1-12,16,23,25-26,31,34-35H,13-15,30H2,(H,32,36)(H,33,37)(H,38,39)/t23-,25+,26-/s2" + - !!omap + - id: "trpvalasp_c" + - name: "Tryptophanyl-Valyl-Aspartate" + - compartment: "c" + - formula: "C20H25N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "tyrala_c" + - name: "Tyrosyl-Alanine" + - compartment: "c" + - formula: "C12H16N2O4" + - charge: 0 + - inchis: "1/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10+/s2" + - !!omap + - id: "tyralaphe_c" + - name: "Tyrosyl-Alaninyl-Phenylalanine" + - compartment: "c" + - formula: "C21H25N3O5" + - charge: 0 + - inchis: "1/C21H25N3O5/c1-13(23-20(27)17(22)11-15-7-9-16(25)10-8-15)19(26)24-18(21(28)29)12-14-5-3-2-4-6-14/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,27)(H,24,26)(H,28,29)/t13-,17+,18+/s2" + - !!omap + - id: "tyrargglu_c" + - name: "Tyrosyl-Arginyl-Glutamate" + - compartment: "c" + - formula: "C20H30N6O7" + - charge: 0 + - inchis: "1/C20H30N6O7/c21-13(10-11-3-5-12(27)6-4-11)17(30)25-14(2-1-9-24-20(22)23)18(31)26-15(19(32)33)7-8-16(28)29/h3-6,13-15,27H,1-2,7-10,21H2,(H,25,30)(H,26,31)(H,28,29)(H,32,33)(H4,22,23,24)/t13-,14+,15-/s2" + - !!omap + - id: "tyrargser_c" + - name: "Tyrosyl-Arginyl-Serine" + - compartment: "c" + - formula: "C18H29N6O6" + - charge: 1 + - inchis: "" + - !!omap + - id: "tyrasparg_c" + - name: "Tyrosyl-Aspartyl-Arginine" + - compartment: "c" + - formula: "C19H28N6O7" + - charge: 0 + - inchis: "1/C19H28N6O7/c20-12(8-10-3-5-11(26)6-4-10)16(29)25-14(9-15(27)28)17(30)24-13(18(31)32)2-1-7-23-19(21)22/h3-6,12-14,26H,1-2,7-9,20H2,(H,24,30)(H,25,29)(H,27,28)(H,31,32)(H4,21,22,23)/t12-,13-,14+/s2" + - !!omap + - id: "tyrcysgly_c" + - name: "Tyrosyl-Cysteinyl-Glycine" + - compartment: "c" + - formula: "C14H19N3O5S" + - charge: 0 + - inchis: "1/C14H19N3O5S/c15-10(5-8-1-3-9(18)4-2-8)13(21)17-11(7-23)14(22)16-6-12(19)20/h1-4,10-11,18,23H,5-7,15H2,(H,16,22)(H,17,21)(H,19,20)/t10-,11+/s2" + - !!omap + - id: "tyrcysthr_c" + - name: "Tyrosyl-Cysteinyl-Threonine" + - compartment: "c" + - formula: "C16H23N3O6S" + - charge: 0 + - inchis: "1/C16H23N3O6S/c1-8(20)13(16(24)25)19-15(23)12(7-26)18-14(22)11(17)6-9-2-4-10(21)5-3-9/h2-5,8,11-13,20-21,26H,6-7,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t8-,11-,12+,13-/s2" + - !!omap + - id: "tyrglu_c" + - name: "Tyrosyl-Glutamate" + - compartment: "c" + - formula: "C14H17N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "tyrleuarg_c" + - name: "Tyrosyl-Leucyl-Arginine" + - compartment: "c" + - formula: "C21H35N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "tyrphetyr_c" + - name: "Tyrosyl-Phenylalanyl-Tyrosine" + - compartment: "c" + - formula: "C27H29N3O6" + - charge: 0 + - inchis: "1/C27H29N3O6/c28-22(14-18-6-10-20(31)11-7-18)25(33)29-23(15-17-4-2-1-3-5-17)26(34)30-24(27(35)36)16-19-8-12-21(32)13-9-19/h1-13,22-24,31-32H,14-16,28H2,(H,29,33)(H,30,34)(H,35,36)/t22-,23+,24-/s2" + - !!omap + - id: "tyrthr_c" + - name: "Tyrosyl-Threonine" + - compartment: "c" + - formula: "C13H18N2O5" + - charge: 0 + - inchis: "1/C13H18N2O5/c1-7(16)11(13(19)20)15-12(18)10(14)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)/t7-,10-,11+/s2" + - !!omap + - id: "tyrtrpphe_c" + - name: "Tyrosyl-Tryptophanyl-Phenylalanine" + - compartment: "c" + - formula: "C29H30N4O5" + - charge: 0 + - inchis: "1S/C29H30N4O5/c30-23(14-19-10-12-21(34)13-11-19)27(35)32-25(16-20-17-31-24-9-5-4-8-22(20)24)28(36)33-26(29(37)38)15-18-6-2-1-3-7-18/h1-13,17,23,25-26,31,34H,14-16,30H2,(H,32,35)(H,33,36)(H,37,38)/t23-,25-,26-/m0/s1" + - !!omap + - id: "tyrtyr_c" + - name: "Tyrosyl-Tyrosine" + - compartment: "c" + - formula: "C18H20N2O5" + - charge: 0 + - inchis: "1/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16+/s2" + - !!omap + - id: "tyrvalmet_c" + - name: "Tyrosyl-Valyl-Methionine" + - compartment: "c" + - formula: "C19H29N3O5S" + - charge: 0 + - inchis: "1/C19H29N3O5S/c1-11(2)16(18(25)21-15(19(26)27)8-9-28-3)22-17(24)14(20)10-12-4-6-13(23)7-5-12/h4-7,11,14-16,23H,8-10,20H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)/t14-,15-,16+/s2" + - !!omap + - id: "valarggly_c" + - name: "Valyl-Arginyl-Glycine" + - compartment: "c" + - formula: "C13H27N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "valhisasn_c" + - name: "Valyl-Histidyl-Asparagine" + - compartment: "c" + - formula: "C15H24N6O5" + - charge: 0 + - inchis: "1/C15H24N6O5/c1-7(2)12(17)14(24)20-9(3-8-5-18-6-19-8)13(23)21-10(15(25)26)4-11(16)22/h5-7,9-10,12H,3-4,17H2,1-2H3,(H2,16,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10+,12+/s2" + - !!omap + - id: "valleuphe_c" + - name: "Valyl-Leucyl-Phenylalanine" + - compartment: "c" + - formula: "C20H31N3O4" + - charge: 0 + - inchis: "1/C20H31N3O4/c1-12(2)10-15(22-19(25)17(21)13(3)4)18(24)23-16(20(26)27)11-14-8-6-5-7-9-14/h5-9,12-13,15-17H,10-11,21H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)/t15-,16+,17+/s2" + - !!omap + - id: "vallystyr_c" + - name: "Valyl-Lysyl-Tyrosine" + - compartment: "c" + - formula: "C20H33N4O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "valphearg_c" + - name: "Valyl-Phenylalanyl-Arginine" + - compartment: "c" + - formula: "C20H33N6O4" + - charge: 1 + - inchis: "" + - !!omap + - id: "valprotrp_c" + - name: "Valyl-Prolyl-Tryptophan" + - compartment: "c" + - formula: "C21H28N4O4" + - charge: 0 + - inchis: "1S/C21H28N4O4/c1-12(2)18(22)20(27)25-9-5-8-17(25)19(26)24-16(21(28)29)10-13-11-23-15-7-4-3-6-14(13)15/h3-4,6-7,11-12,16-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t16-,17-,18-/m0/s1" + - !!omap + - id: "valserarg_c" + - name: "Valyl-Seryl-Arginine" + - compartment: "c" + - formula: "C14H29N6O5" + - charge: 1 + - inchis: "" + - !!omap + - id: "valtrpphe_c" + - name: "Valyl-Tryptophanyl-Phenylalanine" + - compartment: "c" + - formula: "C25H30N4O4" + - charge: 0 + - inchis: "1/C25H30N4O4/c1-15(2)22(26)24(31)28-20(13-17-14-27-19-11-7-6-10-18(17)19)23(30)29-21(25(32)33)12-16-8-4-3-5-9-16/h3-11,14-15,20-22,27H,12-13,26H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t20-,21+,22+/s2" + - !!omap + - id: "valtrpval_c" + - name: "Valyl-Tryptophanyl-Valine" + - compartment: "c" + - formula: "C21H30N4O4" + - charge: 0 + - inchis: "1/C21H30N4O4/c1-11(2)17(22)20(27)24-16(19(26)25-18(12(3)4)21(28)29)9-13-10-23-15-8-6-5-7-14(13)15/h5-8,10-12,16-18,23H,9,22H2,1-4H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17+,18+/s2" + - !!omap + - id: "valval_c" + - name: "Valyl-Valine" + - compartment: "c" + - formula: "C10H20N2O3" + - charge: 0 + - inchis: "1/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8+/s2" + - !!omap + - id: "trpglyasp_c" + - name: "Tryptophanyl-Glycyl-Aspartate" + - compartment: "c" + - formula: "C17H19N4O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "glyleu_c" + - name: "Glycylleucine" + - compartment: "c" + - formula: "C8H16N2O3" + - charge: 0 + - inchis: "1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1" + - !!omap + - id: "xolest183_hs_c" + - name: "1-Gamma-Linolenoyl-Cholesterol, Cholesterol-Ester (18:3, Delta 6, 9, 12)" + - compartment: "c" + - formula: "C45H74O2" + - charge: 0 + - inchis: "1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,17-18,26,35-36,38-42H,7-10,13,16,19-25,27-34H2,1-6H3/b12-11-,15-14-,18-17-/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1" + - !!omap + - id: "xolest182_hs_c" + - name: "1-Linoleoyl-Cholesterol, Cholesterol-Ester (18:2, Delta 9, 12)" + - compartment: "c" + - formula: "C45H76O2" + - charge: 0 + - inchis: "1/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14+/t36-,38+,39+,40-,41+,42+,44+,45-/s2" + - !!omap + - id: "xolest181_hs_c" + - name: "1-Vaccenoyl-Cholesterol, Cholesterol-Ester (18:1, Delta 11)" + - compartment: "c" + - formula: "C45H78O2" + - charge: 0 + - inchis: "1/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h12-13,26,35-36,38-42H,7-11,14-25,27-34H2,1-6H3/b13-12+/t36-,38+,39+,40-,41+,42+,44+,45-/s2" + - !!omap + - id: "xolest205_hs_c" + - name: "1-Timnodnoyl-Cholesterol, Cholesterol-Ester (20:5, Delta 5,8,11,14,17)" + - compartment: "c" + - formula: "C47H74O2" + - charge: 0 + - inchis: "1/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/s2" + - !!omap + - id: "xolest204_hs_c" + - name: "Cholesteryl Arachidonate, Cholesterol-Ester (20:4, Delta 5,8,11,14)" + - compartment: "c" + - formula: "C47H76O2" + - charge: 0 + - inchis: "1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1" + - !!omap + - id: "xolest226_hs_c" + - name: "Cholesteryl Docosahexanoate, Cholesterol-Ester (22:6, Delta 4,7,10,13,16,19)" + - compartment: "c" + - formula: "C49H76O2" + - charge: 0 + - inchis: "1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8+,12-11+,15-14+,18-17+,21-20+,24-23-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1" + - !!omap + - id: "m02908s" + - name: "SM pool" + - compartment: "s" + - formula: "C23H48N2O5PRCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "hxa_s" + - name: "Hexanoate (N-C6:0)" + - compartment: "s" + - formula: "C6H11O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01954c" + - name: "glcnac-alpha-1,4-core 1" + - compartment: "c" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01954s" + - name: "glcnac-alpha-1,4-core 1" + - compartment: "s" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "Lhcystin_c" + - name: "L-Homocystine" + - compartment: "c" + - formula: "C8H16N2O4S2" + - charge: 0 + - inchis: "1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6?/s2" + - !!omap + - id: "Lhcystin_s" + - name: "L-Homocystine" + - compartment: "s" + - formula: "C8H16N2O4S2" + - charge: 0 + - inchis: "1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6?/s2" + - !!omap + - id: "m02543s" + - name: "N-acetylneuraminate" + - compartment: "s" + - formula: "C11H18NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "band_c" + - name: "Band Membrane Protein (Universal, Erythrocyte --> 2.1,3,4.1)" + - compartment: "c" + - formula: "BaH" + - charge: 0 + - inchis: "" + - !!omap + - id: "bandmt_c" + - name: "Band Membrane Protein (Methylated, Universal, Erythrocyte -> 2.1,3,4.1)" + - compartment: "c" + - formula: "BaCH3" + - charge: 0 + - inchis: "" + - !!omap + - id: "dhmtp_c" + - name: "1,2-Dihydroxy-5-(Methylthio)Pent-1-En-3-One" + - compartment: "c" + - formula: "C6H9O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02525s" + - name: "N-acetylgalactosamine" + - compartment: "s" + - formula: "C8H15NO6" + - charge: 0 + - inchis: "1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1" + - !!omap + - id: "m01609s" + - name: "core 4" + - compartment: "s" + - formula: "C24H40N3O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "galam_s" + - name: "D-Galactosamine" + - compartment: "s" + - formula: "C6H13NO5" + - charge: 0 + - inchis: "1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1" + - !!omap + - id: "galam_c" + - name: "D-Galactosamine" + - compartment: "c" + - formula: "C6H13NO5" + - charge: 0 + - inchis: "1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1" + - !!omap + - id: "mqn10_c" + - name: "Menaquinone-10" + - compartment: "c" + - formula: "C61H88O2" + - charge: 0 + - inchis: "1S/C61H88O2/c1-46(2)24-15-25-47(3)26-16-27-48(4)28-17-29-49(5)30-18-31-50(6)32-19-33-51(7)34-20-35-52(8)36-21-37-53(9)38-22-39-54(10)40-23-41-55(11)44-45-57-56(12)60(62)58-42-13-14-43-59(58)61(57)63/h13-14,24,26,28,30,32,34,36,38,40,42-44H,15-23,25,27,29,31,33,35,37,39,41,45H2,1-12H3" + - !!omap + - id: "mqn10_s" + - name: "Menaquinone-10" + - compartment: "s" + - formula: "C61H88O2" + - charge: 0 + - inchis: "1S/C61H88O2/c1-46(2)24-15-25-47(3)26-16-27-48(4)28-17-29-49(5)30-18-31-50(6)32-19-33-51(7)34-20-35-52(8)36-21-37-53(9)38-22-39-54(10)40-23-41-55(11)44-45-57-56(12)60(62)58-42-13-14-43-59(58)61(57)63/h13-14,24,26,28,30,32,34,36,38,40,42-44H,15-23,25,27,29,31,33,35,37,39,41,45H2,1-12H3" + - !!omap + - id: "mqn11_c" + - name: "Menaquinone-11" + - compartment: "c" + - formula: "C66H96O2" + - charge: 0 + - inchis: "1S/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3" + - !!omap + - id: "mqn11_s" + - name: "Menaquinone-11" + - compartment: "s" + - formula: "C66H96O2" + - charge: 0 + - inchis: "1S/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3" + - !!omap + - id: "mqn7_c" + - name: "Menaquinone-7" + - compartment: "c" + - formula: "C46H64O2" + - charge: 0 + - inchis: "1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+" + - !!omap + - id: "mqn7_s" + - name: "Menaquinone-7" + - compartment: "s" + - formula: "C46H64O2" + - charge: 0 + - inchis: "1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+" + - !!omap + - id: "mqn9_c" + - name: "Menaquinone-9" + - compartment: "c" + - formula: "C56H80O2" + - charge: 0 + - inchis: "1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+" + - !!omap + - id: "mqn9_s" + - name: "Menaquinone-9" + - compartment: "s" + - formula: "C56H80O2" + - charge: 0 + - inchis: "1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+" + - !!omap + - id: "m01651s" + - name: "de-Fuc form of PA6 (wo peptide linkage)" + - compartment: "s" + - formula: "C84H136N6O62" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01801s" + - name: "F1alpha" + - compartment: "s" + - formula: "C22H37N2O15X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02393s" + - name: "lipoamide" + - compartment: "s" + - formula: "C8H15NOS2" + - charge: 0 + - inchis: "1/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)" + - !!omap + - id: "m02393c" + - name: "lipoamide" + - compartment: "c" + - formula: "C8H15NOS2" + - charge: 0 + - inchis: "1/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)" + - !!omap + - id: "m02654s" + - name: "O-methylhippurate" + - compartment: "s" + - formula: "C10H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "mqn8_c" + - name: "Menaquinone-8" + - compartment: "c" + - formula: "C51H72O2" + - charge: 0 + - inchis: "1S/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3" + - !!omap + - id: "m01991s" + - name: "glycogenin G4G4" + - compartment: "s" + - formula: "C1827H2805N455O568S14" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00758s" + - name: "3alpha,7alpha-dihydroxy-5beta-cholestanate" + - compartment: "s" + - formula: "C27H45O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00752s" + - name: "3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanate" + - compartment: "s" + - formula: "C27H45O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01093s" + - name: "5beta-cholestane-3alpha,7alpha,26-triol" + - compartment: "s" + - formula: "C27H48O3" + - charge: 0 + - inchis: "1/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/s2" + - !!omap + - id: "m01182s" + - name: "7alpha-hydroxycholest-4-en-3-one" + - compartment: "s" + - formula: "C27H44O2" + - charge: 0 + - inchis: "1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1" + - !!omap + - id: "m01178s" + - name: "7alpha,12alpha-dihydroxycholest-4-en-3-one" + - compartment: "s" + - formula: "C27H44O3" + - charge: 0 + - inchis: "1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "7klitchol_s" + - name: "7-Ketolithocholate" + - compartment: "s" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00671s" + - name: "2-oxobutyrate" + - compartment: "s" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "glutar_s" + - name: "Glutarate" + - compartment: "s" + - formula: "C5H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01683s" + - name: "D-gluconic acid" + - compartment: "s" + - formula: "C6H11O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02358c" + - name: "L-erythro-4-hydroxyglutamate" + - compartment: "c" + - formula: "C5H8NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00989c" + - name: "4-hydroxy-2-oxoglutarate" + - compartment: "c" + - formula: "C5H4O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "glyleu_s" + - name: "Glycylleucine" + - compartment: "s" + - formula: "C8H16N2O3" + - charge: 0 + - inchis: "1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1" + - !!omap + - id: "ggdp_c" + - name: "2-Trans,6-Trans,10-Trans-Geranylgeranyl Diphosphate" + - compartment: "c" + - formula: "C20H33O7P2" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01681s" + - name: "D-glucarate" + - compartment: "s" + - formula: "C6H8O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "2mcacn_c" + - name: "(Z)-But-2-Ene-1,2,3-Tricarboxylate" + - compartment: "c" + - formula: "C7H5O6" + - charge: -3 + - inchis: "" + - !!omap + - id: "micit_c" + - name: "(2S,3R)-3-Hydroxybutane-1,2,3-Tricarboxylate" + - compartment: "c" + - formula: "C7H7O7" + - charge: -3 + - inchis: "" + - !!omap + - id: "m00995s" + - name: "4-hydroxybenzoate" + - compartment: "s" + - formula: "C7H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00729s" + - name: "3,4-dihydroxyphenylacetate" + - compartment: "s" + - formula: "C8H7O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "mqn8_s" + - name: "Menaquinone-8" + - compartment: "s" + - formula: "C51H72O2" + - charge: 0 + - inchis: "1S/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3" + - !!omap + - id: "ch4s_s" + - name: "Methanethiol" + - compartment: "s" + - formula: "CH4S" + - charge: 0 + - inchis: "1S/CH4S/c1-2/h2H,1H3" + - !!omap + - id: "m02725s" + - name: "phenylpyruvate" + - compartment: "s" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03099s" + - name: "tyramine" + - compartment: "s" + - formula: "C8H12NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00654s" + - name: "2-hydroxyphenylacetate" + - compartment: "s" + - formula: "C8H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02336s" + - name: "lanosterol" + - compartment: "s" + - formula: "C30H50O" + - charge: 0 + - inchis: "1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1" + - !!omap + - id: "m03136s" + - name: "vanillylmandelate" + - compartment: "s" + - formula: "C9H9O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02007s" + - name: "glyoxalate" + - compartment: "s" + - formula: "C2H1O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00664c" + - name: "2-methylbutyrylglycine" + - compartment: "c" + - formula: "C7H12NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00664s" + - name: "2-methylbutyrylglycine" + - compartment: "s" + - formula: "C7H12NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00825c" + - name: "3-methylcrotonoylglycine" + - compartment: "c" + - formula: "C7H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00825s" + - name: "3-methylcrotonoylglycine" + - compartment: "s" + - formula: "C7H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02190c" + - name: "isovalerylglycine" + - compartment: "c" + - formula: "C7H12NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02190s" + - name: "isovalerylglycine" + - compartment: "s" + - formula: "C7H12NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "actyr_m" + - name: "N-Acetyl-Tyrosine" + - compartment: "m" + - formula: "C11H12NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "actyr_c" + - name: "N-Acetyl-Tyrosine" + - compartment: "c" + - formula: "C11H12NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "actyr_s" + - name: "N-Acetyl-Tyrosine" + - compartment: "s" + - formula: "C11H12NO4" + - charge: -1 + - inchis: "" + - !!omap + - id: "sucacetat_c" + - name: "Succinyl-Acetoacetate" + - compartment: "c" + - formula: "C8H8O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "sucaceto_c" + - name: "Succinylacetone" + - compartment: "c" + - formula: "C7H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "sucaceto_s" + - name: "Succinylacetone" + - compartment: "s" + - formula: "C7H9O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "vanilpyr_c" + - name: "Vanilpyruvic Acid" + - compartment: "c" + - formula: "C10H9O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "vanillac_c" + - name: "Vanil-Lactate" + - compartment: "c" + - formula: "C10H11O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00830m" + - name: "3-O-methyldopa" + - compartment: "m" + - formula: "C10H13NO4" + - charge: 0 + - inchis: "1/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)" + - !!omap + - id: "nacvanala_m" + - name: "N-Acetylvanilalanine" + - compartment: "m" + - formula: "C12H14NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "nacvanala_c" + - name: "N-Acetylvanilalanine" + - compartment: "c" + - formula: "C12H14NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "nacvanala_s" + - name: "N-Acetylvanilalanine" + - compartment: "s" + - formula: "C12H14NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "vanillac_s" + - name: "Vanil-Lactate" + - compartment: "s" + - formula: "C10H11O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "2h3mv_c" + - name: "2-Hydroxy-3-Methyl-Valerate" + - compartment: "c" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2h3mv_s" + - name: "2-Hydroxy-3-Methyl-Valerate" + - compartment: "s" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hiv_c" + - name: "2-Hydroxy-Isovalerate" + - compartment: "c" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hiv_s" + - name: "2-Hydroxy-Isovalerate" + - compartment: "s" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2m3hbu_m" + - name: "2-Methyl-3-Hydroxy-Butyrate" + - compartment: "m" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2m3hbu_c" + - name: "2-Methyl-3-Hydroxy-Butyrate" + - compartment: "c" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2m3hbu_s" + - name: "2-Methyl-3-Hydroxy-Butyrate" + - compartment: "s" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2m3ovcoa_m" + - name: "2-Methyl-3-Oxo-Valeryl Coenzyme A" + - compartment: "m" + - formula: "C27H40N7O18P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "2m3ovac_m" + - name: "2-Methyl-3-Oxo-Valerate" + - compartment: "m" + - formula: "C6H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2m3ovac_c" + - name: "2-Methyl-3-Oxo-Valerate" + - compartment: "c" + - formula: "C6H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2m3hvac_c" + - name: "2-Methyl-3-Hydroxy-Valerate" + - compartment: "c" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2m3hvac_s" + - name: "2-Methyl-3-Hydroxy-Valerate" + - compartment: "s" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3h3mglt_c" + - name: "3-Hydroxy-3-Methyl-Glutarate" + - compartment: "c" + - formula: "C6H8O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3h3mglt_s" + - name: "3-Hydroxy-3-Methyl-Glutarate" + - compartment: "s" + - formula: "C6H8O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3mglutac_m" + - name: "3-Methyl-Glutaconate" + - compartment: "m" + - formula: "C6H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "3mglutac_c" + - name: "3-Methyl-Glutaconate" + - compartment: "c" + - formula: "C6H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "3mglutac_s" + - name: "3-Methyl-Glutaconate" + - compartment: "s" + - formula: "C6H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "3mglutr_c" + - name: "3-Methyl-Glutarate" + - compartment: "c" + - formula: "C6H8O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "3mglutr_s" + - name: "3-Methyl-Glutarate" + - compartment: "s" + - formula: "C6H8O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "ppiogly_m" + - name: "Propionyl-Glycine" + - compartment: "m" + - formula: "C5H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "ppiogly_c" + - name: "Propionyl-Glycine" + - compartment: "c" + - formula: "C5H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "ppiogly_s" + - name: "Propionyl-Glycine" + - compartment: "s" + - formula: "C5H8NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "mvlac_c" + - name: "Mevalonate-Lactone" + - compartment: "c" + - formula: "C6H10O3" + - charge: 0 + - inchis: "1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1" + - !!omap + - id: "mvlac_s" + - name: "Mevalonate-Lactone" + - compartment: "s" + - formula: "C6H10O3" + - charge: 0 + - inchis: "1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1" + - !!omap + - id: "tiggly_m" + - name: "Tiglyl Glycine" + - compartment: "m" + - formula: "C7H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "tiggly_c" + - name: "Tiglyl Glycine" + - compartment: "c" + - formula: "C7H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "tiggly_s" + - name: "Tiglyl Glycine" + - compartment: "s" + - formula: "C7H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "td2glutrcoa_m" + - name: "Trans-Delta-2-Glutaryl Coenzyme A" + - compartment: "m" + - formula: "C26H35N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "3hglutcoa_m" + - name: "3-Hydroxy-Glutaryl Coenzyme A" + - compartment: "m" + - formula: "C26H37N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "3ohglutac_m" + - name: "3-Hydroxy-Glutarate" + - compartment: "m" + - formula: "C5H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3ohglutac_c" + - name: "3-Hydroxy-Glutarate" + - compartment: "c" + - formula: "C5H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3ohglutac_s" + - name: "3-Hydroxy-Glutarate" + - compartment: "s" + - formula: "C5H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "glutacoa_m" + - name: "Glutaconyl Coenzyme A" + - compartment: "m" + - formula: "C26H35N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "glutcon_m" + - name: "Glutaconate" + - compartment: "m" + - formula: "C5H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "glutcon_c" + - name: "Glutaconate" + - compartment: "c" + - formula: "C5H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "glutcon_s" + - name: "Glutaconate" + - compartment: "s" + - formula: "C5H4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "3hivac_m" + - name: "3-Hydroxyisovaleric Acid" + - compartment: "m" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hivac_c" + - name: "3-Hydroxyisovaleric Acid" + - compartment: "c" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hivac_s" + - name: "3-Hydroxyisovaleric Acid" + - compartment: "s" + - formula: "C5H9O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hadicoa_p" + - name: "3-Hydroxy-Adipoyl Coenzyme A" + - compartment: "p" + - formula: "C27H39N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "3hadpac_p" + - name: "3-Hydroxy-Adipate" + - compartment: "p" + - formula: "C6H8O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3hadpac_c" + - name: "3-Hydroxy-Adipate" + - compartment: "c" + - formula: "C6H8O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3hadpac_s" + - name: "3-Hydroxy-Adipate" + - compartment: "s" + - formula: "C6H8O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3ohsebcoa_p" + - name: "3-Hydroxy-Sebacoyl Coenzyme A" + - compartment: "p" + - formula: "C31H47N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "3ohsebac_p" + - name: "3-Hydroxy-Sebacic Acid" + - compartment: "p" + - formula: "C10H16O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3ohsebac_c" + - name: "3-Hydroxy-Sebacic Acid" + - compartment: "c" + - formula: "C10H16O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3ohsebac_s" + - name: "3-Hydroxy-Sebacic Acid" + - compartment: "s" + - formula: "C10H16O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3ohsubcoa_p" + - name: "3-Hydoxy-Suberyl Coenzyme A" + - compartment: "p" + - formula: "C29H43N7O20P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "3ohsubac_p" + - name: "3-Hydoxy-Suberic Acid" + - compartment: "p" + - formula: "C8H12O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3ohsubac_c" + - name: "3-Hydoxy-Suberic Acid" + - compartment: "c" + - formula: "C8H12O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "3ohsubac_s" + - name: "3-Hydoxy-Suberic Acid" + - compartment: "s" + - formula: "C8H12O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "5ohhexa_c" + - name: "5-Hydroxyhexanoic Acid" + - compartment: "c" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "5ohhexa_s" + - name: "5-Hydroxyhexanoic Acid" + - compartment: "s" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "7ohocata_c" + - name: "7-Hydroxy-Octanoate" + - compartment: "c" + - formula: "C8H15O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "7ohocata_s" + - name: "7-Hydroxy-Octanoate" + - compartment: "s" + - formula: "C8H15O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "ethmalcoa_c" + - name: "Ethylmalonyl Coenzyme A" + - compartment: "c" + - formula: "C26H37N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "ethmalac_c" + - name: "Ethylmalonic Acid" + - compartment: "c" + - formula: "C5H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "ethmalac_s" + - name: "Ethylmalonic Acid" + - compartment: "s" + - formula: "C5H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "hexgly_c" + - name: "Hexanoyl-Glycine" + - compartment: "c" + - formula: "C8H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "hexgly_s" + - name: "Hexanoyl-Glycine" + - compartment: "s" + - formula: "C8H14NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "methsuccoa_c" + - name: "Methyl-Succinyl Coenzyme A" + - compartment: "c" + - formula: "C26H37N7O19P3S" + - charge: -5 + - inchis: "" + - !!omap + - id: "methsucc_c" + - name: "Methyl-Succinate" + - compartment: "c" + - formula: "C5H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "methsucc_s" + - name: "Methyl-Succinate" + - compartment: "s" + - formula: "C5H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "subgly_c" + - name: "Suberyl-Glycine" + - compartment: "c" + - formula: "C10H15NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "subgly_s" + - name: "Suberyl-Glycine" + - compartment: "s" + - formula: "C10H15NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "4ohbut_m" + - name: "4-Hydroxy-Butyrate" + - compartment: "m" + - formula: "C4H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "4ohbut_c" + - name: "4-Hydroxy-Butyrate" + - compartment: "c" + - formula: "C4H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "4ohbut_s" + - name: "4-Hydroxy-Butyrate" + - compartment: "s" + - formula: "C4H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "pailste_hs_c" + - name: "1-Stearoylglycerophosphoinositol" + - compartment: "c" + - formula: "C27H52O12P" + - charge: -1 + - inchis: "" + - !!omap + - id: "peste_hs_c" + - name: "1-Stearoylglycerophosphoethanolamine" + - compartment: "c" + - formula: "C23H48NO7P" + - charge: 0 + - inchis: "1/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/s2" + - !!omap + - id: "2hxic_L_s" + - name: "2-Hydroxy-Isocaproate" + - compartment: "s" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hxic_L_c" + - name: "2-Hydroxy-Isocaproate" + - compartment: "c" + - formula: "C6H11O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hydog_c" + - name: "2-Hydroxy-Glutarate" + - compartment: "c" + - formula: "C5H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "2hydog_s" + - name: "2-Hydroxy-Glutarate" + - compartment: "s" + - formula: "C5H6O5" + - charge: -2 + - inchis: "" + - !!omap + - id: "glutar_c" + - name: "Glutarate" + - compartment: "c" + - formula: "C5H6O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "thexdd_m" + - name: "7Z,10Z-Hexadecadienoic Acid" + - compartment: "m" + - formula: "C16H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "thexdd_c" + - name: "7Z,10Z-Hexadecadienoic Acid" + - compartment: "c" + - formula: "C16H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "thexdd_s" + - name: "7Z,10Z-Hexadecadienoic Acid" + - compartment: "s" + - formula: "C16H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "hexdtr_m" + - name: "(Z,Z,Z)-7,10,13-Hexadecatrienoic Acid" + - compartment: "m" + - formula: "C16H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "hexdtr_c" + - name: "(Z,Z,Z)-7,10,13-Hexadecatrienoic Acid" + - compartment: "c" + - formula: "C16H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "hexdtr_s" + - name: "(Z,Z,Z)-7,10,13-Hexadecatrienoic Acid" + - compartment: "s" + - formula: "C16H25O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "hpdececoa_m" + - name: "Trans-Delta-2-Heptadecanoyl Coenzyme A" + - compartment: "m" + - formula: "C38H62N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "hpdece_m" + - name: "Trans-Delta-2-Heptadecanoic Acid" + - compartment: "m" + - formula: "C17H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "hpdece_c" + - name: "Trans-Delta-2-Heptadecanoic Acid" + - compartment: "c" + - formula: "C17H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "hpdece_s" + - name: "Trans-Delta-2-Heptadecanoic Acid" + - compartment: "s" + - formula: "C17H31O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "eic21114tr_c" + - name: "Trans,Cis,Cis-2,11,14-Eicosatrienoic Acid" + - compartment: "c" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "eic21114tr_s" + - name: "Trans,Cis,Cis-2,11,14-Eicosatrienoic Acid" + - compartment: "s" + - formula: "C20H33O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "5eipenc_m" + - name: "5,8,11,14,17-Eicosapentenoic Acid" + - compartment: "m" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "5eipenc_c" + - name: "5,8,11,14,17-Eicosapentenoic Acid" + - compartment: "c" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "5eipenc_s" + - name: "5,8,11,14,17-Eicosapentenoic Acid" + - compartment: "s" + - formula: "C20H29O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00981s" + - name: "4-coumarate" + - compartment: "s" + - formula: "C9H7O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00971s" + - name: "4-androstene-3,17-dione" + - compartment: "s" + - formula: "C19H26O2" + - charge: 0 + - inchis: "1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1" + - !!omap + - id: "m00399c" + - name: "16alpha-hydroxydehydroepiandrosterone" + - compartment: "c" + - formula: "C19H28O3" + - charge: 0 + - inchis: "1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1" + - !!omap + - id: "m00399s" + - name: "16alpha-hydroxydehydroepiandrosterone" + - compartment: "s" + - formula: "C19H28O3" + - charge: 0 + - inchis: "1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1" + - !!omap + - id: "m01064s" + - name: "5alpha-androstane-3,17-dione" + - compartment: "s" + - formula: "C19H28O2" + - charge: 0 + - inchis: "1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1" + - !!omap + - id: "m01065s" + - name: "5alpha-androstane-3alpha,17beta-diol" + - compartment: "s" + - formula: "C19H32O2" + - charge: 0 + - inchis: "1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1" + - !!omap + - id: "m00649s" + - name: "2-hydroxyestradiol-17beta" + - compartment: "s" + - formula: "C18H24O3" + - charge: 0 + - inchis: "1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1" + - !!omap + - id: "m00660s" + - name: "2-methoxyestrone" + - compartment: "s" + - formula: "C19H24O3" + - charge: 0 + - inchis: "1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1" + - !!omap + - id: "m00659s" + - name: "2-methoxyestradiol-17beta" + - compartment: "s" + - formula: "C19H26O3" + - charge: 0 + - inchis: "1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1" + - !!omap + - id: "m00604s" + - name: "21-hydroxyallopregnanolone" + - compartment: "s" + - formula: "C21H34O3" + - charge: 0 + - inchis: "1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1" + - !!omap + - id: "m00295s" + - name: "11-deoxycortisol" + - compartment: "s" + - formula: "C21H30O4" + - charge: 0 + - inchis: "1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1" + - !!omap + - id: "m00294s" + - name: "11-deoxycorticosterone" + - compartment: "s" + - formula: "C21H30O3" + - charge: 0 + - inchis: "1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1" + - !!omap + - id: "m02763s" + - name: "pregnenolone" + - compartment: "s" + - formula: "C21H32O2" + - charge: 0 + - inchis: "1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1" + - !!omap + - id: "m01314s" + - name: "allopregnanolone" + - compartment: "s" + - formula: "C21H34O2" + - charge: 0 + - inchis: "1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1" + - !!omap + - id: "m00409s" + - name: "17alpha-hydroxyprogesterone" + - compartment: "s" + - formula: "C21H30O3" + - charge: 0 + - inchis: "1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1" + - !!omap + - id: "m00408s" + - name: "17alpha-hydroxypregnenolone" + - compartment: "s" + - formula: "C21H32O3" + - charge: 0 + - inchis: "1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1" + - !!omap + - id: "m01072s" + - name: "5alpha-pregnane-3,20-dione" + - compartment: "s" + - formula: "C21H32O2" + - charge: 0 + - inchis: "1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1" + - !!omap + - id: "m02762s" + - name: "pregnenolone sulfate" + - compartment: "s" + - formula: "C21H31O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00407s" + - name: "17alpha-hydroxypregnenolone sulfate" + - compartment: "s" + - formula: "C21H31O6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02473s" + - name: "methylamine" + - compartment: "s" + - formula: "C1H6N" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02601s" + - name: "N-methylhistamine" + - compartment: "s" + - formula: "C6H12N3" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00988s" + - name: "4-hydroxy-2-nonenal" + - compartment: "s" + - formula: "C9H16O2" + - charge: 0 + - inchis: "1/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3" + - !!omap + - id: "m02518s" + - name: "N8-acetylspermidine" + - compartment: "s" + - formula: "C9H23N3O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02603s" + - name: "N-methylsalsolinol" + - compartment: "s" + - formula: "C11H16NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02875s" + - name: "salsolinol" + - compartment: "s" + - formula: "C10H14NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02803s" + - name: "protoporphyrin" + - compartment: "s" + - formula: "C34H32N4O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01045s" + - name: "5,10-methylene-THF" + - compartment: "s" + - formula: "C20H21N7O6" + - charge: -2 + - inchis: "" + - !!omap + - id: "m03088s" + - name: "tryptamine" + - compartment: "s" + - formula: "C10H13N2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02891s" + - name: "selenomethionine" + - compartment: "s" + - formula: "C5H11NO2Se" + - charge: 0 + - inchis: "1/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" + - !!omap + - id: "m00028s" + - name: "(18R)-HEPE" + - compartment: "s" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01039s" + - name: "5(S)-HEPE" + - compartment: "s" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01050s" + - name: "5,15-DiHETE" + - compartment: "s" + - formula: "C20H31O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00385s" + - name: "15-deoxy-prostaglandin J2" + - compartment: "s" + - formula: "C20H27O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00293s" + - name: "11-dehydro-thromboxane B2" + - compartment: "s" + - formula: "C20H31O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02823s" + - name: "quinonoid dihydrobiopterin" + - compartment: "s" + - formula: "C9H13N5O3" + - charge: 0 + - inchis: "1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)" + - !!omap + - id: "m00248s" + - name: "1,3-diaminopropane" + - compartment: "s" + - formula: "C3H12N2" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02117s" + - name: "hexadecenoylcarnitine(9)" + - compartment: "s" + - formula: "C23H43NO4" + - charge: 0 + - inchis: "1/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h17-18,21H,5-16,19-20H2,1-4H3/b18-17+" + - !!omap + - id: "m02503s" + - name: "N1-acetylspermidine" + - compartment: "s" + - formula: "C9H23N3O" + - charge: 2 + - inchis: "" + - !!omap + - id: "m01110s" + - name: "5-hydroxytryptophol" + - compartment: "s" + - formula: "C10H11NO2" + - charge: 0 + - inchis: "1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2" + - !!omap + - id: "m00727s" + - name: "3,4-dihydroxymandelate" + - compartment: "s" + - formula: "C8H7O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01113s" + - name: "5-methoxytryptophol" + - compartment: "s" + - formula: "C11H13NO2" + - charge: 0 + - inchis: "1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3" + - !!omap + - id: "m01417s" + - name: "calcitriol" + - compartment: "s" + - formula: "C27H44O3" + - charge: 0 + - inchis: "1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1" + - !!omap + - id: "m02181c" + - name: "isobutyrylglycine" + - compartment: "c" + - formula: "C6H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02181s" + - name: "isobutyrylglycine" + - compartment: "s" + - formula: "C6H10NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02534c" + - name: "N-acetyl-L-cysteine" + - compartment: "c" + - formula: "C5H8NO3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02534s" + - name: "N-acetyl-L-cysteine" + - compartment: "s" + - formula: "C5H8NO3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02942c" + - name: "succinate semialdehyde" + - compartment: "c" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02942s" + - name: "succinate semialdehyde" + - compartment: "s" + - formula: "C4H5O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00373s" + - name: "15(R)-HEPE" + - compartment: "s" + - formula: "C20H29O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01767s" + - name: "ecgonine-methyl ester" + - compartment: "s" + - formula: "C10H17NO3" + - charge: 0 + - inchis: "1/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/s2" + - !!omap + - id: "m00324c" + - name: "12-hydroxy-arachidonate" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00324s" + - name: "12-hydroxy-arachidonate" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00428c" + - name: "18-hydroxy-arachidonate" + - compartment: "c" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00428s" + - name: "18-hydroxy-arachidonate" + - compartment: "s" + - formula: "C20H31O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02933s" + - name: "squalene" + - compartment: "s" + - formula: "C30H50" + - charge: 0 + - inchis: "1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+" + - !!omap + - id: "m01101c" + - name: "5-guanidino-2-oxopentanoate" + - compartment: "c" + - formula: "C6H11N3O3" + - charge: 0 + - inchis: "1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)" + - !!omap + - id: "m01101s" + - name: "5-guanidino-2-oxopentanoate" + - compartment: "s" + - formula: "C6H11N3O3" + - charge: 0 + - inchis: "1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)" + - !!omap + - id: "m01660s" + - name: "dehydroepiandrosterone" + - compartment: "s" + - formula: "C19H28O2" + - charge: 0 + - inchis: "1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1" + - !!omap + - id: "m01790s" + - name: "estrone" + - compartment: "s" + - formula: "C18H22O2" + - charge: 0 + - inchis: "1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1" + - !!omap + - id: "m00650s" + - name: "2-hydroxyestrone" + - compartment: "s" + - formula: "C18H22O3" + - charge: 0 + - inchis: "1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1" + - !!omap + - id: "m01504c" + - name: "cholesterol-ester-palm" + - compartment: "c" + - formula: "C43H76O2" + - charge: 0 + - inchis: "1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1" + - !!omap + - id: "m01504s" + - name: "cholesterol-ester-palm" + - compartment: "s" + - formula: "C43H76O2" + - charge: 0 + - inchis: "1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1" + - !!omap + - id: "m00610s" + - name: "24-hydroxycholesterol" + - compartment: "s" + - formula: "C27H46O2" + - charge: 0 + - inchis: "1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m00623s" + - name: "26-hydroxycholesterol" + - compartment: "s" + - formula: "C27H46O2" + - charge: 0 + - inchis: "1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m00619c" + - name: "25-hydroxycholesterol" + - compartment: "c" + - formula: "C27H46O2" + - charge: 0 + - inchis: "1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1" + - !!omap + - id: "m00619s" + - name: "25-hydroxycholesterol" + - compartment: "s" + - formula: "C27H46O2" + - charge: 0 + - inchis: "1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1" + - !!omap + - id: "m01675s" + - name: "desmosterol" + - compartment: "s" + - formula: "C27H44O" + - charge: 0 + - inchis: "1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" + - !!omap + - id: "m01512s" + - name: "cholesterol-sulfate" + - compartment: "s" + - formula: "C27H45O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00807s" + - name: "3-iodo-L-tyrosine" + - compartment: "s" + - formula: "C9H10INO3" + - charge: 0 + - inchis: "1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1" + - !!omap + - id: "m00739s" + - name: "3,5-diiodo-L-tyrosine" + - compartment: "s" + - formula: "C9H9I2NO3" + - charge: 0 + - inchis: "1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1" + - !!omap + - id: "m00350s" + - name: "13-cis-retinoate" + - compartment: "s" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01231s" + - name: "9-cis-retinoate" + - compartment: "s" + - formula: "C20H27O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "vldl_hs_c" + - name: "Very Low Density Lipoprotein" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "vldl_hs_s" + - name: "Very Low Density Lipoprotein" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01351s" + - name: "apoB100" + - compartment: "s" + - formula: "C23182H36564N6112O6944S104" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01353s" + - name: "apoC1" + - compartment: "s" + - formula: "C421H695N109O124S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01354s" + - name: "apoC2" + - compartment: "s" + - formula: "C509H801N123O159S3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01355s" + - name: "apoC3" + - compartment: "s" + - formula: "C484H760N128O149S3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01359s" + - name: "apoE" + - compartment: "s" + - formula: "C1569H2559N477O483S10" + - charge: 0 + - inchis: "" + - !!omap + - id: "idl_hs_s" + - name: "Intermediate Density Lipoprotein" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "ldl_hs_s" + - name: "Low Density Lipoprotein" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "hdl_hs_s" + - name: "High Density Lipoprotein" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "chylo_hs_c" + - name: "Chylomicron Lipoprotein" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "chylo_hs_s" + - name: "Chylomicron Lipoprotein" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00576s" + - name: "2,5-dihydroxybenzoate" + - compartment: "s" + - formula: "C7H5O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01839s" + - name: "formyl-N-acetyl-5-methoxykynurenamine" + - compartment: "s" + - formula: "C13H16N2O4" + - charge: 0 + - inchis: "1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)" + - !!omap + - id: "m02714s" + - name: "peroxynitrite" + - compartment: "s" + - formula: "NO3" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02134s" + - name: "homocysteine-thiolactone" + - compartment: "s" + - formula: "C4H8NOS" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01927s" + - name: "gamma-glutamyl-cysteine" + - compartment: "s" + - formula: "C8H13N2O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02460s" + - name: "melatonin" + - compartment: "s" + - formula: "C13H16N2O2" + - charge: 0 + - inchis: "1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)" + - !!omap + - id: "m01161s" + - name: "6-hydroxymelatonin" + - compartment: "s" + - formula: "C13H16N2O3" + - charge: 0 + - inchis: "1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)" + - !!omap + - id: "m02752s" + - name: "picolinic acid" + - compartment: "s" + - formula: "C6H4NO2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m03125s" + - name: "uroporphyrin I" + - compartment: "s" + - formula: "C40H30N4O16" + - charge: -8 + - inchis: "" + - !!omap + - id: "m02756s" + - name: "porphobilinogen" + - compartment: "s" + - formula: "C10H13N2O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02771s" + - name: "propane-1,2-diol" + - compartment: "s" + - formula: "C3H8O2" + - charge: 0 + - inchis: "1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" + - !!omap + - id: "m02870s" + - name: "S-adenosylmethioninamine" + - compartment: "s" + - formula: "C14H24N6O3S" + - charge: 2 + - inchis: "" + - !!omap + - id: "m02425s" + - name: "L-xylulose" + - compartment: "s" + - formula: "C5H10O5" + - charge: 0 + - inchis: "1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m0/s1" + - !!omap + - id: "m01759s" + - name: "D-xylulose" + - compartment: "s" + - formula: "C5H10O5" + - charge: 0 + - inchis: "1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1" + - !!omap + - id: "m02441s" + - name: "malonic-dialdehyde" + - compartment: "s" + - formula: "C3H3O2" + - charge: -1 + - inchis: "1S/C3H3O2/c4-2-1-3-5/h1-3H/q-1" + - !!omap + - id: "m02166s" + - name: "imidazole-4-acetate" + - compartment: "s" + - formula: "C5H5N2O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01332s" + - name: "aminoacetone" + - compartment: "s" + - formula: "C3H8NO" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02927s" + - name: "sphinganine" + - compartment: "s" + - formula: "C18H40NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00635s" + - name: "2-arachidonoylglycerol" + - compartment: "s" + - formula: "C23H38O4" + - charge: 0 + - inchis: "1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-" + - !!omap + - id: "m02766s" + - name: "pristanic acid" + - compartment: "s" + - formula: "C19H37O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00314s" + - name: "12,13-hydroxyoctadec-9(z)-enoate" + - compartment: "s" + - formula: "C18H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01220s" + - name: "9,10-hydroxyoctadec-12(Z)-enoate" + - compartment: "s" + - formula: "C18H33O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01841s" + - name: "fructose-1,6-bisphosphate" + - compartment: "s" + - formula: "C6H10O12P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01601s" + - name: "cocaine" + - compartment: "s" + - formula: "C17H21NO4" + - charge: 0 + - inchis: "1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/s2" + - !!omap + - id: "m01073s" + - name: "5-amino-2-oxopentanoic acid" + - compartment: "s" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)" + - !!omap + - id: "m01073c" + - name: "5-amino-2-oxopentanoic acid" + - compartment: "c" + - formula: "C5H9NO3" + - charge: 0 + - inchis: "1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)" + - !!omap + - id: "dopa4sf_c" + - name: "Dopamine 4-O-Sulphate" + - compartment: "c" + - formula: "C8H11NO5S" + - charge: 0 + - inchis: "1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)" + - !!omap + - id: "dopa4glcur_c" + - name: "Dopamine-4-O-Glucuronide" + - compartment: "c" + - formula: "C14H19NO8" + - charge: 0 + - inchis: "1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1" + - !!omap + - id: "dopa3glcur_c" + - name: "Dopamine-3-O-Glucuronide" + - compartment: "c" + - formula: "C14H19NO8" + - charge: 0 + - inchis: "1S/C14H19NO8/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1" + - !!omap + - id: "34dhpe_c" + - name: "3,4-Dihydroxyphenylethanol" + - compartment: "c" + - formula: "C8H10O3" + - charge: 0 + - inchis: "1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2" + - !!omap + - id: "dopa4sf_s" + - name: "Dopamine 4-O-Sulphate" + - compartment: "s" + - formula: "C8H11NO5S" + - charge: 0 + - inchis: "1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)" + - !!omap + - id: "dopa4glcur_s" + - name: "Dopamine-4-O-Glucuronide" + - compartment: "s" + - formula: "C14H19NO8" + - charge: 0 + - inchis: "1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1" + - !!omap + - id: "dopa3glcur_s" + - name: "Dopamine-3-O-Glucuronide" + - compartment: "s" + - formula: "C14H19NO8" + - charge: 0 + - inchis: "1S/C14H19NO8/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1" + - !!omap + - id: "m01139s" + - name: "5-S-glutathionyl-L-dopa" + - compartment: "s" + - formula: "C19H25N4O10S" + - charge: -1 + - inchis: "" + - !!omap + - id: "5cysgly34dhphe_s" + - name: "5-S-Cysteinylglycine Dopa" + - compartment: "s" + - formula: "C14H19N3O7S" + - charge: 0 + - inchis: "1S/C14H19N3O7S/c15-7(14(23)24)1-6-2-9(18)12(21)10(3-6)25-5-8(16)13(22)17-4-11(19)20/h2-3,7-8,18,21H,1,4-5,15-16H2,(H,17,22)(H,19,20)(H,23,24)/t7-,8?/m0/s1" + - !!omap + - id: "m01134s" + - name: "5-S-cysteinyldopa" + - compartment: "s" + - formula: "C12H16N2O6S" + - charge: 0 + - inchis: "1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m1/s1" + - !!omap + - id: "6hddopaqn_c" + - name: "6-Hydroxydopamine-Quinone" + - compartment: "c" + - formula: "C8H10NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "5cysdopa_c" + - name: "5-S-Cysteinyldopamine" + - compartment: "c" + - formula: "C11H17N2O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "23dh1i56dio_c" + - name: "2,3-Dihydro-1H-Indole-5,6-Dione" + - compartment: "c" + - formula: "C8H7NO2" + - charge: 0 + - inchis: "1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9H,1-2H2" + - !!omap + - id: "4glu56dihdind_c" + - name: "4-S-Glutathionyl-5,6-Dihydroxyindoline" + - compartment: "c" + - formula: "C18H23N4O8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "4glu56dihdind_s" + - name: "4-S-Glutathionyl-5,6-Dihydroxyindoline" + - compartment: "s" + - formula: "C18H23N4O8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "5cysdopa_s" + - name: "5-S-Cysteinyldopamine" + - compartment: "s" + - formula: "C11H17N2O4S" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01138s" + - name: "5-S-glutathionyl-dopamine" + - compartment: "s" + - formula: "C18H26N4O8S" + - charge: 0 + - inchis: "1/C18H26N4O8S/c19-4-3-9-5-12(23)16(27)13(6-9)31-8-11(17(28)21-7-15(25)26)22-14(24)2-1-10(20)18(29)30/h5-6,10-11,23,27H,1-4,7-8,19-20H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/t10-,11-/s2" + - !!omap + - id: "m01154s" + - name: "6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline" + - compartment: "s" + - formula: "C9H12NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m00231s" + - name: "1,2-dehydrosalsolinol" + - compartment: "s" + - formula: "C10H11NO2" + - charge: 0 + - inchis: "1S/C10H11NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-5,12-13H,2-3H2,1H3" + - !!omap + - id: "m01699r" + - name: "dihydroceramide pool" + - compartment: "r" + - formula: "C18H38NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02927g" + - name: "sphinganine" + - compartment: "g" + - formula: "C18H40NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m01699g" + - name: "dihydroceramide pool" + - compartment: "g" + - formula: "C18H38NO2RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "phcrm_hs_g" + - name: "Phytoceramide" + - compartment: "g" + - formula: "C18H38NO3RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "phsphings_g" + - name: "Phytosphingosine" + - compartment: "g" + - formula: "C18H40NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "phcrm_hs_r" + - name: "Phytoceramide" + - compartment: "r" + - formula: "C18H38NO3RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "phsphings_r" + - name: "Phytosphingosine" + - compartment: "r" + - formula: "C18H40NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "galgluside_hs_s" + - name: "Galactosyl Glucosyl Ceramide" + - compartment: "s" + - formula: "C30H56NO12RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "gm1_hs_l" + - name: "Ganglioside Gm1" + - compartment: "l" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01905l" + - name: "GA2" + - compartment: "l" + - formula: "C38H69N2O17RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01904l" + - name: "GA1" + - compartment: "l" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01946l" + - name: "GD2" + - compartment: "l" + - formula: "C60H101N4O33RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01943l" + - name: "GD1b" + - compartment: "l" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02014l" + - name: "GM2alpha" + - compartment: "l" + - formula: "C49H85N3O25RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02009l" + - name: "GM1alpha" + - compartment: "l" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "phcrm_hs_c" + - name: "Phytoceramide" + - compartment: "c" + - formula: "C18H38NO3RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01947s" + - name: "GD3" + - compartment: "s" + - formula: "C52H88N3O28RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02015s" + - name: "GM3" + - compartment: "s" + - formula: "C41H72N2O20RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01904s" + - name: "GA1" + - compartment: "s" + - formula: "C44H79N2O22RCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02009s" + - name: "GM1alpha" + - compartment: "s" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02014s" + - name: "GM2alpha" + - compartment: "s" + - formula: "C49H85N3O25RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01947l" + - name: "GD3" + - compartment: "l" + - formula: "C52H88N3O28RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "gm1_hs_s" + - name: "Ganglioside Gm1" + - compartment: "s" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02010s" + - name: "GM1b" + - compartment: "s" + - formula: "C55H95N3O30RCO" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01941s" + - name: "GD1a" + - compartment: "s" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01943s" + - name: "GD1b" + - compartment: "s" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02030s" + - name: "GT1b" + - compartment: "s" + - formula: "C77H127N5O46RCO" + - charge: -3 + - inchis: "" + - !!omap + - id: "m01946s" + - name: "GD2" + - compartment: "s" + - formula: "C60H101N4O33RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01941n" + - name: "GD1a" + - compartment: "n" + - formula: "C66H111N4O38RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02684n" + - name: "PC-LD pool" + - compartment: "n" + - formula: "C10H18NO8PR2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02908n" + - name: "SM pool" + - compartment: "n" + - formula: "C23H48N2O5PRCO" + - charge: 0 + - inchis: "" + - !!omap + - id: "phsphings_c" + - name: "Phytosphingosine" + - compartment: "c" + - formula: "C18H40NO3" + - charge: 1 + - inchis: "" + - !!omap + - id: "phsph1p_c" + - name: "Phytosphingosine-1-Phosphate" + - compartment: "c" + - formula: "C18H39NO6P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02929n" + - name: "sphingosine" + - compartment: "n" + - formula: "C18H38NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02930n" + - name: "sphingosine-1-phosphate" + - compartment: "n" + - formula: "C18H37NO5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02927n" + - name: "sphinganine" + - compartment: "n" + - formula: "C18H40NO2" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02928n" + - name: "sphinganine-1-phosphate" + - compartment: "n" + - formula: "C18H39NO5P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02738n" + - name: "phosphocholine" + - compartment: "n" + - formula: "C5H13NO4P" + - charge: -1 + - inchis: "" + - !!omap + - id: "m01592s" + - name: "CMP-N-acetylneuraminate" + - compartment: "s" + - formula: "C20H29N4O16P" + - charge: -2 + - inchis: "" + - !!omap + - id: "hhxdcal_c" + - name: "2-Hydroxyhexadecanal" + - compartment: "c" + - formula: "C16H32O2" + - charge: 0 + - inchis: "1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3" + - !!omap + - id: "34dhpe_s" + - name: "3,4-Dihydroxyphenylethanol" + - compartment: "s" + - formula: "C8H10O3" + - charge: 0 + - inchis: "1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2" + - !!omap + - id: "m01947m" + - name: "GD3" + - compartment: "m" + - formula: "C52H88N3O28RCO" + - charge: -2 + - inchis: "" + - !!omap + - id: "temp001c" + - name: "biomass" + - compartment: "c" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "12dhchol_c" + - name: "12-Dehydrocholic acid; 12-Oxodeoxycholic acid; 12oxo-3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid" + - compartment: "c" + - formula: "C24H37O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "12dhchol_s" + - name: "12-Dehydrocholic acid; 12-Oxodeoxycholic acid; 12oxo-3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid" + - compartment: "s" + - formula: "C24H37O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "3dhchol_c" + - name: "3-Dehydrocholic acid; 3oxo-7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid" + - compartment: "c" + - formula: "C24H37O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "3dhcdchol_c" + - name: "3-Dehydrochenodeoxychollyc acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid" + - compartment: "c" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "3dhcdchol_s" + - name: "3-Dehydrochenodeoxychollyc acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid" + - compartment: "s" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "3dhchol_s" + - name: "3-Dehydrocholic acid; 3oxo-7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid" + - compartment: "s" + - formula: "C24H37O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "3dhdchol_c" + - name: "3-dehydro-Deoxycholate" + - compartment: "c" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "3dhdchol_s" + - name: "3-dehydro-Deoxycholate" + - compartment: "s" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "3dhlchol_c" + - name: "3-dehydro-Lithocholate" + - compartment: "c" + - formula: "C24H37O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3dhlchol_s" + - name: "3-dehydro-Lithocholate" + - compartment: "s" + - formula: "C24H37O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "7dhcdchol_c" + - name: "7-Dehydrochenodeoxycholic acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid" + - compartment: "c" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "7dhcdchol_s" + - name: "7-Dehydrochenodeoxycholic acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid" + - compartment: "s" + - formula: "C24H37O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "7dhchol_c" + - name: "7-Dehydrocholic acid; 7-Oxodeoxycholic acid; 7oxo-3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid" + - compartment: "c" + - formula: "C24H37O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "7dhchol_s" + - name: "7-Dehydrocholic acid; 7-Oxodeoxycholic acid; 7oxo-3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid" + - compartment: "s" + - formula: "C24H37O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "ca24g_c" + - name: "Cholic acid-24glucuronide, CA-24G" + - compartment: "c" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "ca24g_r" + - name: "Cholic acid-24glucuronide, CA-24G" + - compartment: "r" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "ca24g_s" + - name: "Cholic acid-24glucuronide, CA-24G" + - compartment: "s" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "ca3s_c" + - name: "Cholic acid 3-sulfate" + - compartment: "c" + - formula: "C24H38O8S" + - charge: -2 + - inchis: "" + - !!omap + - id: "ca3s_s" + - name: "Cholic acid 3-sulfate" + - compartment: "s" + - formula: "C24H38O8S" + - charge: -2 + - inchis: "" + - !!omap + - id: "cdca24g_c" + - name: "Chenodeoxycholic acid-24glucuronide, CDCA-24G" + - compartment: "c" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "cdca24g_r" + - name: "Chenodeoxycholic acid-24glucuronide, CDCA-24G" + - compartment: "r" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "cdca24g_s" + - name: "Chenodeoxycholic acid-24glucuronide, CDCA-24G" + - compartment: "s" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "cdca3g_c" + - name: "Chenodeoxycholic acid-3glucuronide, CDCA-3G" + - compartment: "c" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "cdca3g_r" + - name: "Chenodeoxycholic acid-3glucuronide, CDCA-3G" + - compartment: "r" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "cdca3g_s" + - name: "Chenodeoxycholic acid-3glucuronide, CDCA-3G" + - compartment: "s" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "hyochol_c" + - name: "Hyocholic acid; gamma-Muricholate" + - compartment: "c" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "coprost_c" + - name: "Coprostanol" + - compartment: "c" + - formula: "C27H48O" + - charge: 0 + - inchis: "" + - !!omap + - id: "coprost_s" + - name: "Coprostanol" + - compartment: "s" + - formula: "C27H48O" + - charge: 0 + - inchis: "" + - !!omap + - id: "dca24g_c" + - name: "Deoxycholic acid-24glucuronide, CDA-24G" + - compartment: "c" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "dca24g_r" + - name: "Deoxycholic acid-24glucuronide, CDA-24G" + - compartment: "r" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "dca24g_s" + - name: "Deoxycholic acid-24glucuronide, CDA-24G" + - compartment: "s" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "dca3g_c" + - name: "Deoxycholic acid-3glucuronide, CDA-3G" + - compartment: "c" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "dca3g_r" + - name: "Deoxycholic acid-3glucuronide, CDA-3G" + - compartment: "r" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "dca3g_s" + - name: "Deoxycholic acid-3glucuronide, CDA-3G" + - compartment: "s" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "dca3s_c" + - name: "Deoxycholic acid 3-sulfate" + - compartment: "c" + - formula: "C24H38O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "dca3s_s" + - name: "Deoxycholic acid 3-sulfate" + - compartment: "s" + - formula: "C24H38O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "gca3s_c" + - name: "Glycocholic acid 3-sulfate" + - compartment: "c" + - formula: "C26H42NO9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gcdca3s_c" + - name: "Glycochenodeoxycholic acid 3-sulfate" + - compartment: "c" + - formula: "C26H42NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gdca3s_c" + - name: "Glycodeoxycholic acid 3-sulfate" + - compartment: "c" + - formula: "C26H42NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gudca3s_c" + - name: "Glycoursodeoxycholic acid 3-sulfate" + - compartment: "c" + - formula: "C26H42NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "hca24g_c" + - name: "Hyocholic acid-24glucuronide, HCA-24G" + - compartment: "c" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "hca6g_c" + - name: "Hyocholic acid-6glucuronide, HCA-6G" + - compartment: "c" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "hdca24g_c" + - name: "Hyodeoxycholic acid-24glucuronide, HDCA-24G" + - compartment: "c" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "hdca6g_c" + - name: "Hyodeoxycholic acid-6glucuronide, HDCA-6G" + - compartment: "c" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "icdchol_c" + - name: "Isochenodeoxycholic acid; 3beta,7alpha-Dihydroxy-5beta-cholanic acid" + - compartment: "c" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "isochol_c" + - name: "Isochenodeoxycholic acid; 3beta,7alpha,12alpha-Trihydroxy-5beta-cholanic acid" + - compartment: "c" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "lca24g_c" + - name: "Lithocholic acid-24glucuronide, CDCA-24G" + - compartment: "c" + - formula: "C30H47O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "lca3g_c" + - name: "Lithocholic acid-3glucuronide, CDCA-3G" + - compartment: "c" + - formula: "C30H47O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "lca3s_c" + - name: "Lithocholic acid 3-sulfate" + - compartment: "c" + - formula: "C24H38O6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "tca3s_c" + - name: "Taurocholic acid 3-sulfate" + - compartment: "c" + - formula: "C26H44NO10S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "tcdca3s_c" + - name: "Taurochenodeoxycholic acid 3-sulfate" + - compartment: "c" + - formula: "C26H44NO9S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "tdca3s_c" + - name: "Taurodeoxycholic acid 3-sulfate" + - compartment: "c" + - formula: "C26H43NO9S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "thyochol_c" + - name: "Taurohyocholic acid; N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine" + - compartment: "c" + - formula: "C26H44NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tudca3s_c" + - name: "Tauroursodeoxycholic acid 3-sulfate" + - compartment: "c" + - formula: "C26H44NO9S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "uchol_c" + - name: "Ursocholic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid; 7beta-Hydroxyisocholic acid; 7-Epicholic acid" + - compartment: "c" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "udca3s_c" + - name: "Ursodeoxycholic acid 3-sulfate" + - compartment: "c" + - formula: "C24H38O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "gca3s_s" + - name: "Glycocholic acid 3-sulfate" + - compartment: "s" + - formula: "C26H42NO9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gcdca3s_s" + - name: "Glycochenodeoxycholic acid 3-sulfate" + - compartment: "s" + - formula: "C26H42NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gdca3s_s" + - name: "Glycodeoxycholic acid 3-sulfate" + - compartment: "s" + - formula: "C26H42NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gudca3s_s" + - name: "Glycoursodeoxycholic acid 3-sulfate" + - compartment: "s" + - formula: "C26H42NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "hca24g_s" + - name: "Hyocholic acid-24glucuronide, HCA-24G" + - compartment: "s" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "hca6g_s" + - name: "Hyocholic acid-6glucuronide, HCA-6G" + - compartment: "s" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "hdca24g_s" + - name: "Hyodeoxycholic acid-24glucuronide, HDCA-24G" + - compartment: "s" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "hdca6g_s" + - name: "Hyodeoxycholic acid-6glucuronide, HDCA-6G" + - compartment: "s" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "hyochol_s" + - name: "Hyocholic acid; gamma-Muricholate" + - compartment: "s" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "icdchol_s" + - name: "Isochenodeoxycholic acid; 3beta,7alpha-Dihydroxy-5beta-cholanic acid" + - compartment: "s" + - formula: "C24H39O4" + - charge: -1 + - inchis: "" + - !!omap + - id: "isochol_s" + - name: "Isochenodeoxycholic acid; 3beta,7alpha,12alpha-Trihydroxy-5beta-cholanic acid" + - compartment: "s" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "lca24g_s" + - name: "Lithocholic acid-24glucuronide, CDCA-24G" + - compartment: "s" + - formula: "C30H47O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "lca3g_s" + - name: "Lithocholic acid-3glucuronide, CDCA-3G" + - compartment: "s" + - formula: "C30H47O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "lca3s_s" + - name: "Lithocholic acid 3-sulfate" + - compartment: "s" + - formula: "C24H38O6S" + - charge: -2 + - inchis: "" + - !!omap + - id: "tca3s_s" + - name: "Taurocholic acid 3-sulfate" + - compartment: "s" + - formula: "C26H44NO10S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "tcdca3s_s" + - name: "Taurochenodeoxycholic acid 3-sulfate" + - compartment: "s" + - formula: "C26H44NO9S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "tdca3s_s" + - name: "Taurodeoxycholic acid 3-sulfate" + - compartment: "s" + - formula: "C26H43NO9S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "thyochol_s" + - name: "Taurohyocholic acid; N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine" + - compartment: "s" + - formula: "C26H44NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tudca3s_s" + - name: "Tauroursodeoxycholic acid 3-sulfate" + - compartment: "s" + - formula: "C26H44NO9S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "uchol_s" + - name: "Ursocholic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid; 7beta-Hydroxyisocholic acid; 7-Epicholic acid" + - compartment: "s" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "udca3s_s" + - name: "Ursodeoxycholic acid 3-sulfate" + - compartment: "s" + - formula: "C24H38O7S" + - charge: -2 + - inchis: "" + - !!omap + - id: "hyochol_r" + - name: "Hyocholic acid; gamma-Muricholate" + - compartment: "r" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "hca24g_r" + - name: "Hyocholic acid-24glucuronide, HCA-24G" + - compartment: "r" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "hca6g_r" + - name: "Hyocholic acid-6glucuronide, HCA-6G" + - compartment: "r" + - formula: "C30H47O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "m02155r" + - name: "hyodeoxycholate" + - compartment: "r" + - formula: "C24H40O4" + - charge: 0 + - inchis: "1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16?,17?,18?,19?,20?,21+,23-,24-/m1/s1" + - !!omap + - id: "hdca24g_r" + - name: "Hyodeoxycholic acid-24glucuronide, HDCA-24G" + - compartment: "r" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "hdca6g_r" + - name: "Hyodeoxycholic acid-6glucuronide, HDCA-6G" + - compartment: "r" + - formula: "C30H47O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "lca24g_r" + - name: "Lithocholic acid-24glucuronide, CDCA-24G" + - compartment: "r" + - formula: "C30H47O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "lca3g_r" + - name: "Lithocholic acid-3glucuronide, CDCA-3G" + - compartment: "r" + - formula: "C30H47O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "tacr_r" + - name: "Tacrolimus" + - compartment: "r" + - formula: "C44H69NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "12htacr_r" + - name: "12-HT or M-VI, 12-hydroxy tacrolimus" + - compartment: "r" + - formula: "C44H69NO13" + - charge: 0 + - inchis: "" + - !!omap + - id: "12htacr_c" + - name: "12-HT or M-VI, 12-hydroxy tacrolimus" + - compartment: "c" + - formula: "C44H69NO13" + - charge: 0 + - inchis: "" + - !!omap + - id: "12htacr_s" + - name: "12-HT or M-VI, 12-hydroxy tacrolimus" + - compartment: "s" + - formula: "C44H69NO13" + - charge: 0 + - inchis: "" + - !!omap + - id: "13dmt_r" + - name: "13-O-desmethyl tacrolimus, 13-DMT or M-I" + - compartment: "r" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1331tacr_r" + - name: "13,31-O-Didesmethyl-tacrolimus" + - compartment: "r" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "31dmt_r" + - name: "31-DMT or M-II, 31-O-desmethyl tacrolimus" + - compartment: "r" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1331tacr_c" + - name: "13,31-O-Didesmethyl-tacrolimus" + - compartment: "c" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1331tacr_s" + - name: "13,31-O-Didesmethyl-tacrolimus" + - compartment: "s" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "13dmt_c" + - name: "13-O-desmethyl tacrolimus, 13-DMT or M-I" + - compartment: "c" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "13dmt_s" + - name: "13-O-desmethyl tacrolimus, 13-DMT or M-I" + - compartment: "s" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "4ohmdz_r" + - name: "4-OH-midazolam" + - compartment: "r" + - formula: "C18H13ClFN3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "14hmdz_r" + - name: "1,4-Dihydroxy-midazolam" + - compartment: "r" + - formula: "C18H13ClFN3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "1ohmdz_r" + - name: "1'-OH-midazolam" + - compartment: "r" + - formula: "C18H13ClFN3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "14hmdz_c" + - name: "1,4-Dihydroxy-midazolam" + - compartment: "c" + - formula: "C18H13ClFN3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "14hmdz_s" + - name: "1,4-Dihydroxy-midazolam" + - compartment: "s" + - formula: "C18H13ClFN3O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "15dmt_r" + - name: "15-DMT or M-III, 15-O-desmethyl tacrolimus" + - compartment: "r" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1513tacr_r" + - name: "13,15-O-didesmethyl tacrolimus" + - compartment: "r" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1513tacr_c" + - name: "13,15-O-didesmethyl tacrolimus" + - compartment: "c" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1513tacr_s" + - name: "13,15-O-didesmethyl tacrolimus" + - compartment: "s" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1531tacr_r" + - name: "15,31-O-Didesmethyl-tacrolimus" + - compartment: "r" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1531tacr_c" + - name: "15,31-O-Didesmethyl-tacrolimus" + - compartment: "c" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1531tacr_s" + - name: "15,31-O-Didesmethyl-tacrolimus" + - compartment: "s" + - formula: "C42H65NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "15dmt_c" + - name: "15-DMT or M-III, 15-O-desmethyl tacrolimus" + - compartment: "c" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "15dmt_s" + - name: "15-DMT or M-III, 15-O-desmethyl tacrolimus" + - compartment: "s" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "1hibupglu_S_c" + - name: "1-hydroxy S-ibuprofen-glucuronide" + - compartment: "c" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "1hibupglu_S_s" + - name: "1-hydroxy S-ibuprofen-glucuronide" + - compartment: "s" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "1hibup_S_r" + - name: "1-hydroxy S-ibuprofen" + - compartment: "r" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "1hibupglu_S_r" + - name: "1-hydroxy S-ibuprofen-glucuronide" + - compartment: "r" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "1hibup_S_c" + - name: "1-hydroxy S-ibuprofen" + - compartment: "c" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "1hibup_S_s" + - name: "1-hydroxy S-ibuprofen" + - compartment: "s" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "1hmdgluc_r" + - name: "1'-OH-midazolam-glucuronide" + - compartment: "r" + - formula: "C24H20ClFN3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "1hmdgluc_s" + - name: "1'-OH-midazolam-glucuronide" + - compartment: "s" + - formula: "C24H20ClFN3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "1hmdgluc_c" + - name: "1'-OH-midazolam-glucuronide" + - compartment: "c" + - formula: "C24H20ClFN3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "mdz_r" + - name: "Midazolam" + - compartment: "r" + - formula: "C18H13ClFN3" + - charge: 0 + - inchis: "" + - !!omap + - id: "1ohmdz_c" + - name: "1'-OH-midazolam" + - compartment: "c" + - formula: "C18H13ClFN3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "1ohmdz_s" + - name: "1'-OH-midazolam" + - compartment: "s" + - formula: "C18H13ClFN3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "2hatvacid_c" + - name: "2-hydroxy-atorvastatin-acid / ortho-hydroxy-atorvastatin acid" + - compartment: "c" + - formula: "C33H34FN2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hatvlac_c" + - name: "2-hydroxy-atorvastatin-lactone / ortho-hydroxy-atorvastatin lactone" + - compartment: "c" + - formula: "C33H33FN2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "2hatvacid_r" + - name: "2-hydroxy-atorvastatin-acid / ortho-hydroxy-atorvastatin acid" + - compartment: "r" + - formula: "C33H34FN2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hatvacidgluc_r" + - name: "2-hydroxy-atorvastatin-acyl-glucuronide" + - compartment: "r" + - formula: "C39H42FN2O12" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hatvacidgluc_c" + - name: "2-hydroxy-atorvastatin-acyl-glucuronide" + - compartment: "c" + - formula: "C39H42FN2O12" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hatvacidgluc_s" + - name: "2-hydroxy-atorvastatin-acyl-glucuronide" + - compartment: "s" + - formula: "C39H42FN2O12" + - charge: -1 + - inchis: "" + - !!omap + - id: "atvacid_r" + - name: "atorvastatin-acid" + - compartment: "r" + - formula: "C33H34FN2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hatvacid_s" + - name: "2-hydroxy-atorvastatin-acid / ortho-hydroxy-atorvastatin acid" + - compartment: "s" + - formula: "C33H34FN2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hatvlac_r" + - name: "2-hydroxy-atorvastatin-lactone / ortho-hydroxy-atorvastatin lactone" + - compartment: "r" + - formula: "C33H33FN2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "2hatvlacgluc_r" + - name: "2-hydroxy-atorvastatin-lactone-glucuronide" + - compartment: "r" + - formula: "C39H40FN2O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hatvlacgluc_c" + - name: "2-hydroxy-atorvastatin-lactone-glucuronide" + - compartment: "c" + - formula: "C39H40FN2O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hatvlacgluc_s" + - name: "2-hydroxy-atorvastatin-lactone-glucuronide" + - compartment: "s" + - formula: "C39H40FN2O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "atvlac_r" + - name: "atorvastatin-lactone" + - compartment: "r" + - formula: "C33H33FN2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "2hatvlac_s" + - name: "2-hydroxy-atorvastatin-lactone / ortho-hydroxy-atorvastatin lactone" + - compartment: "s" + - formula: "C33H33FN2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "2hibupglu_S_c" + - name: "2-hydroxy S-ibuprofen-glucuronide" + - compartment: "c" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hibupglu_S_s" + - name: "2-hydroxy S-ibuprofen-glucuronide" + - compartment: "s" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hibup_R_c" + - name: "2-hydroxy-R-ibuprofen" + - compartment: "c" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hibup_R_s" + - name: "2-hydroxy-R-ibuprofen" + - compartment: "s" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hibup_S_r" + - name: "2-hydroxy-S-ibuprofen" + - compartment: "r" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hibupglu_S_r" + - name: "2-hydroxy S-ibuprofen-glucuronide" + - compartment: "r" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hibup_S_c" + - name: "2-hydroxy-S-ibuprofen" + - compartment: "c" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hibup_S_s" + - name: "2-hydroxy-S-ibuprofen" + - compartment: "s" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "31dmt_c" + - name: "31-DMT or M-II, 31-O-desmethyl tacrolimus" + - compartment: "c" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "31dmt_s" + - name: "31-DMT or M-II, 31-O-desmethyl tacrolimus" + - compartment: "s" + - formula: "C43H67NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "pvs_r" + - name: "pravastatin" + - compartment: "r" + - formula: "C23H35NaO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "35dhpvs_r" + - name: "3'-alpha,5'beta-dihydroxy-pravastatin / 3'-alpha5'beta6'beta-trihydroxy pravastatin" + - compartment: "r" + - formula: "C23H34NaO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "35dhpvs_c" + - name: "3'-alpha,5'beta-dihydroxy-pravastatin / 3'-alpha5'beta6'beta-trihydroxy pravastatin" + - compartment: "c" + - formula: "C23H34NaO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "35dhpvs_s" + - name: "3'-alpha,5'beta-dihydroxy-pravastatin / 3'-alpha5'beta6'beta-trihydroxy pravastatin" + - compartment: "s" + - formula: "C23H34NaO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "smv_r" + - name: "simvastatin lactone form" + - compartment: "r" + - formula: "C25H38O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "35dsmv_r" + - name: "3',5'-dihydrodiol-simvastatin-lactone form" + - compartment: "r" + - formula: "C25H40O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "35dsmv_c" + - name: "3',5'-dihydrodiol-simvastatin-lactone form" + - compartment: "c" + - formula: "C25H40O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "35dsmv_s" + - name: "3',5'-dihydrodiol-simvastatin-lactone form" + - compartment: "s" + - formula: "C25H40O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hibupglu_S_c" + - name: "3-hydroxy S-ibuprofen-glucuronide" + - compartment: "c" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibupglu_S_s" + - name: "3-hydroxy S-ibuprofen-glucuronide" + - compartment: "s" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibup_R_c" + - name: "3-hydroxy R-ibuprofen" + - compartment: "c" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibup_R_s" + - name: "3-hydroxy R-ibuprofen" + - compartment: "s" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibup_S_r" + - name: "3-hydroxy S-ibuprofen" + - compartment: "r" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibupglu_S_r" + - name: "3-hydroxy S-ibuprofen-glucuronide" + - compartment: "r" + - formula: "C19H25O9" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibup_S_c" + - name: "3-hydroxy S-ibuprofen" + - compartment: "c" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibup_S_s" + - name: "3-hydroxy S-ibuprofen" + - compartment: "s" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hlvst_c" + - name: "3''-hydroxy-lovastatin lactone form" + - compartment: "c" + - formula: "C24H36O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hlvstacid_c" + - name: "3''-hydroxy-lovastatin acid form" + - compartment: "c" + - formula: "C24H37O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hlvstacid_s" + - name: "3''-hydroxy-lovastatin acid form" + - compartment: "s" + - formula: "C24H37O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hpvscoa_m" + - name: "3'-S-hydroxy-pravastatin-CoA" + - compartment: "m" + - formula: "C44H66N7NaO23P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3hpvstetcoa_m" + - name: "3'-S-hydroxy-pravastatin-tetranor-CoA" + - compartment: "m" + - formula: "C40H58N7NaO21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3hpvscoa_p" + - name: "3'-S-hydroxy-pravastatin-CoA" + - compartment: "p" + - formula: "C44H66N7NaO23P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3hpvstetcoa_p" + - name: "3'-S-hydroxy-pravastatin-tetranor-CoA" + - compartment: "p" + - formula: "C40H58N7NaO21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3hpvstet_c" + - name: "3'-S-hydroxy-pravastatin-tetranor" + - compartment: "c" + - formula: "C19H27NaO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hpvstet_s" + - name: "3'-S-hydroxy-pravastatin-tetranor" + - compartment: "s" + - formula: "C19H27NaO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hpvs_r" + - name: "3'-S-hydroxy-pravastatin" + - compartment: "r" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hpvs_c" + - name: "3'-S-hydroxy-pravastatin" + - compartment: "c" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hpvs_s" + - name: "3'-S-hydroxy-pravastatin" + - compartment: "s" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hsmv_c" + - name: "3'-hydroxy-simvastatin-lactone form" + - compartment: "c" + - formula: "C25H38O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hsmvacid_c" + - name: "3'-hydroxy-simvastatin-acid form" + - compartment: "c" + - formula: "C25H39O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hsmvacid_s" + - name: "3'-hydroxy-simvastatin-acid form" + - compartment: "s" + - formula: "C25H39O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6hsmv_r" + - name: "6'-beta-hydroxy simvastatin lactone" + - compartment: "r" + - formula: "C25H38O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hsmv_r" + - name: "3'-hydroxy-simvastatin-lactone form" + - compartment: "r" + - formula: "C25H38O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "pvs_c" + - name: "pravastatin" + - compartment: "c" + - formula: "C23H35NaO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "3ispvs_c" + - name: "3-alpha-iso-pravastatin" + - compartment: "c" + - formula: "C23H35NaO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "3ispvs_s" + - name: "3-alpha-iso-pravastatin" + - compartment: "s" + - formula: "C23H35NaO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "3ohacmp_c" + - name: "3-hydroxy-acetaminophen" + - compartment: "c" + - formula: "C8H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "3meacmp_c" + - name: "3-methoxy-acetaminophen" + - compartment: "c" + - formula: "C9H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "acmp_r" + - name: "acetaminophen/paracetamol" + - compartment: "r" + - formula: "C8H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "3ohacmp_r" + - name: "3-hydroxy-acetaminophen" + - compartment: "r" + - formula: "C8H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "3ohacmp_s" + - name: "3-hydroxy-acetaminophen" + - compartment: "s" + - formula: "C8H9NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "4bhglz_c" + - name: "4-beta-OH-gliclazide" + - compartment: "c" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "4bhglz_s" + - name: "4-beta-OH-gliclazide" + - compartment: "s" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "glz_r" + - name: "Gliclazide" + - compartment: "r" + - formula: "C15H20N3O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "4bhglz_r" + - name: "4-beta-OH-gliclazide" + - compartment: "r" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "4hatvacid_r" + - name: "4-hydroxy-atorvastatin-acid / para-hydroxy-atorvastatin acid" + - compartment: "r" + - formula: "C33H34FN2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "4hatvlac_c" + - name: "4-hydroxy-atorvastatin-lactone / para-hydroxy-atorvastatin lactone" + - compartment: "c" + - formula: "C33H33FN2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "4hatvacid_c" + - name: "4-hydroxy-atorvastatin-acid / para-hydroxy-atorvastatin acid" + - compartment: "c" + - formula: "C33H34FN2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "4hatvacid_s" + - name: "4-hydroxy-atorvastatin-acid / para-hydroxy-atorvastatin acid" + - compartment: "s" + - formula: "C33H34FN2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "4hatvlac_r" + - name: "4-hydroxy-atorvastatin-lactone / para-hydroxy-atorvastatin lactone" + - compartment: "r" + - formula: "C33H33FN2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "4hatvlac_s" + - name: "4-hydroxy-atorvastatin-lactone / para-hydroxy-atorvastatin lactone" + - compartment: "s" + - formula: "C33H33FN2O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "4hmdgluc_c" + - name: "4-OH-midazolam-glucuronide" + - compartment: "c" + - formula: "C24H20ClFN3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "4hmdgluc_s" + - name: "4-OH-midazolam-glucuronide" + - compartment: "s" + - formula: "C24H20ClFN3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "4hmdgluc_r" + - name: "4-OH-midazolam-glucuronide" + - compartment: "r" + - formula: "C24H20ClFN3O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "4ohmdz_c" + - name: "4-OH-midazolam" + - compartment: "c" + - formula: "C18H13ClFN3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "4ohmdz_s" + - name: "4-OH-midazolam" + - compartment: "s" + - formula: "C18H13ClFN3O" + - charge: 0 + - inchis: "" + - !!omap + - id: "tripvs_r" + - name: "triol metabolite of pravastatin" + - compartment: "r" + - formula: "C23H37NaO9" + - charge: 0 + - inchis: "" + - !!omap + - id: "56dhpvs_r" + - name: "3-keto-5,6,-dihydroxy-pravastatin" + - compartment: "r" + - formula: "C23H35NaO9" + - charge: 0 + - inchis: "" + - !!omap + - id: "56dhpvs_c" + - name: "3-keto-5,6,-dihydroxy-pravastatin" + - compartment: "c" + - formula: "C23H35NaO9" + - charge: 0 + - inchis: "" + - !!omap + - id: "56dhpvs_s" + - name: "3-keto-5,6,-dihydroxy-pravastatin" + - compartment: "s" + - formula: "C23H35NaO9" + - charge: 0 + - inchis: "" + - !!omap + - id: "3ispvs_r" + - name: "3-alpha-iso-pravastatin" + - compartment: "r" + - formula: "C23H35NaO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "56eppvs_r" + - name: "5,6-epoxy-3-alpha-iso-pravastatin" + - compartment: "r" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "56eppvs_c" + - name: "5,6-epoxy-3-alpha-iso-pravastatin" + - compartment: "c" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "56eppvs_s" + - name: "5,6-epoxy-3-alpha-iso-pravastatin" + - compartment: "s" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "5ohfvs_r" + - name: "5-hydroxy-fluvastatin" + - compartment: "r" + - formula: "C24H25FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "5ohfvsglu_r" + - name: "5-hydroxy-fluvastatin-glucuronide" + - compartment: "r" + - formula: "C30H32FNNaO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "5ohfvsglu_c" + - name: "5-hydroxy-fluvastatin-glucuronide" + - compartment: "c" + - formula: "C30H32FNNaO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "5ohfvsglu_s" + - name: "5-hydroxy-fluvastatin-glucuronide" + - compartment: "s" + - formula: "C30H32FNNaO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "fvs_r" + - name: "fluvastatin" + - compartment: "r" + - formula: "C24H25FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "5ohfvs_c" + - name: "5-hydroxy-fluvastatin" + - compartment: "c" + - formula: "C24H25FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "5ohfvs_s" + - name: "5-hydroxy-fluvastatin" + - compartment: "s" + - formula: "C24H25FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "6ahglz_c" + - name: "6-alpha-OH-gliclazide" + - compartment: "c" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "6ahglz_s" + - name: "6-alpha-OH-gliclazide" + - compartment: "s" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "6ahglz_r" + - name: "6-alpha-OH-gliclazide" + - compartment: "r" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "6bhglz_c" + - name: "6-beta-OH-gliclazide" + - compartment: "c" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "6bhglz_s" + - name: "6-beta-OH-gliclazide" + - compartment: "s" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "6bhglzglc_c" + - name: "6-beta-OH-gliclazide-glucuronide" + - compartment: "c" + - formula: "C21H27N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "6bhglzglc_s" + - name: "6-beta-OH-gliclazide-glucuronide" + - compartment: "s" + - formula: "C21H27N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "6bhglz_r" + - name: "6-beta-OH-gliclazide" + - compartment: "r" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "6bhglzglc_r" + - name: "6-beta-OH-gliclazide-glucuronide" + - compartment: "r" + - formula: "C21H27N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "6csmv_c" + - name: "6'-beta-carboxy-simvastatin-lactone form" + - compartment: "c" + - formula: "C25H35O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6csmvacid_c" + - name: "6'-beta-carboxy-simvastatin-acid form" + - compartment: "c" + - formula: "C25H36O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "6csmvacid_s" + - name: "6'-beta-carboxy-simvastatin-acid form" + - compartment: "s" + - formula: "C25H36O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "6msmv_r" + - name: "6'-exomethylene-simvastatin-lactone form" + - compartment: "r" + - formula: "C25H36O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "6csmv_r" + - name: "6'-beta-carboxy-simvastatin-lactone form" + - compartment: "r" + - formula: "C25H35O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6epvs_c" + - name: "6-epipravastatin" + - compartment: "c" + - formula: "C23H35NaO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "6epvs_s" + - name: "6-epipravastatin" + - compartment: "s" + - formula: "C23H35NaO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "6hlvst_c" + - name: "6'-beta-hydroxy-lovastatin lactone form" + - compartment: "c" + - formula: "C24H36O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "6hlvstacid_c" + - name: "6'-beta-hydroxy-lovastatin-acid form" + - compartment: "c" + - formula: "C24H37O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6hlvst_s" + - name: "6'-beta-hydroxy-lovastatin lactone form" + - compartment: "s" + - formula: "C24H36O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "6hmsmv_c" + - name: "6'-beta-hydroxy-methyl-simvastatin-lactone form" + - compartment: "c" + - formula: "C25H38O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "6hmsmvacid_c" + - name: "6'-beta-hydroxy-methyl-simvastatin-acid form" + - compartment: "c" + - formula: "C25H39O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6hmsmvacid_s" + - name: "6'-beta-hydroxy-methyl-simvastatin-acid form" + - compartment: "s" + - formula: "C25H39O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6hmsmv_r" + - name: "6'-beta-hydroxy-methyl-simvastatin-lactone form" + - compartment: "r" + - formula: "C25H38O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "6hsmv_c" + - name: "6'-beta-hydroxy simvastatin lactone" + - compartment: "c" + - formula: "C25H38O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "6hsmvacid_c" + - name: "6'-beta-hydroxy simvastatin acid" + - compartment: "c" + - formula: "C25H39O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6hsmvacid_s" + - name: "6'-beta-hydroxy simvastatin acid" + - compartment: "s" + - formula: "C25H39O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6melvst_c" + - name: "6'-exomethylene-lovastatin lactone form" + - compartment: "c" + - formula: "C24H34O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "6melvacid_c" + - name: "6'-exomethylene-lovastatin-acid form" + - compartment: "c" + - formula: "C24H35O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "6melvacid_s" + - name: "6'-exomethylene-lovastatin-acid form" + - compartment: "s" + - formula: "C24H35O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "6melvst_s" + - name: "6'-exomethylene-lovastatin lactone form" + - compartment: "s" + - formula: "C24H34O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "6ohfvsglu_r" + - name: "6-hydroxy-fluvastatin-glucuronide" + - compartment: "r" + - formula: "C30H32FNNaO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "6ohfvsglu_c" + - name: "6-hydroxy-fluvastatin-glucuronide" + - compartment: "c" + - formula: "C30H32FNNaO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "6ohfvsglu_s" + - name: "6-hydroxy-fluvastatin-glucuronide" + - compartment: "s" + - formula: "C30H32FNNaO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "6ohfvs_r" + - name: "6-hydroxy-fluvastatin" + - compartment: "r" + - formula: "C24H25FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "6ohfvs_c" + - name: "6-hydroxy-fluvastatin" + - compartment: "c" + - formula: "C24H25FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "6ohfvs_s" + - name: "6-hydroxy-fluvastatin" + - compartment: "s" + - formula: "C24H25FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "7ahglz_c" + - name: "7-alpha-OH-gliclazide" + - compartment: "c" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "7ahglz_s" + - name: "7-alpha-OH-gliclazide" + - compartment: "s" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "7ahglz_r" + - name: "7-alpha-OH-gliclazide" + - compartment: "r" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "7bhglz_c" + - name: "7-beta-OH-gliclazide" + - compartment: "c" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "7bhglz_s" + - name: "7-beta-OH-gliclazide" + - compartment: "s" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "7bhglzglc_c" + - name: "7-beta-OH-gliclazide-glucuronide" + - compartment: "c" + - formula: "C21H27N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "7bhglzglc_s" + - name: "7-beta-OH-gliclazide-glucuronide" + - compartment: "s" + - formula: "C21H27N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "7bhglz_r" + - name: "7-beta-OH-gliclazide" + - compartment: "r" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "7bhglzglc_r" + - name: "7-beta-OH-gliclazide-glucuronide" + - compartment: "r" + - formula: "C21H27N3O10S" + - charge: -2 + - inchis: "" + - !!omap + - id: "7hpvs_r" + - name: "7-hydroxy-3-alpha-iso-pravastatin" + - compartment: "r" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "7hpvs_c" + - name: "7-hydroxy-3-alpha-iso-pravastatin" + - compartment: "c" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "7hpvs_s" + - name: "7-hydroxy-3-alpha-iso-pravastatin" + - compartment: "s" + - formula: "C23H35NaO8" + - charge: 0 + - inchis: "" + - !!omap + - id: "allop_s" + - name: "allopurinol" + - compartment: "s" + - formula: "C5H4N4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "allop_c" + - name: "allopurinol" + - compartment: "c" + - formula: "C5H4N4O" + - charge: 0 + - inchis: "" + - !!omap + - id: "acmp_c" + - name: "acetaminophen/paracetamol" + - compartment: "c" + - formula: "C8H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "acmp_s" + - name: "acetaminophen/paracetamol" + - compartment: "s" + - formula: "C8H9NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "acmpglu_r" + - name: "Acetaminophen glucuronide" + - compartment: "r" + - formula: "C14H16NO8" + - charge: -1 + - inchis: "" + - !!omap + - id: "acmpglut_s" + - name: "acetaminophen-glutathione-conjugate" + - compartment: "s" + - formula: "C18H27N4O10S" + - charge: 0 + - inchis: "" + - !!omap + - id: "acmpglut_c" + - name: "acetaminophen-glutathione-conjugate" + - compartment: "c" + - formula: "C18H27N4O10S" + - charge: 0 + - inchis: "" + - !!omap + - id: "acmpglu_c" + - name: "Acetaminophen glucuronide" + - compartment: "c" + - formula: "C14H16NO8" + - charge: -1 + - inchis: "" + - !!omap + - id: "acmpglu_s" + - name: "Acetaminophen glucuronide" + - compartment: "s" + - formula: "C14H16NO8" + - charge: -1 + - inchis: "" + - !!omap + - id: "sulpacmp_c" + - name: "sulphate-conjugate-acetaminophen" + - compartment: "c" + - formula: "C8H8NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "oxyp_c" + - name: "oxypurinol" + - compartment: "c" + - formula: "C5H4N4O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1csa_r" + - name: "AM1 (cyclosporine)" + - compartment: "r" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am19cs_r" + - name: "AM19 (cyclosporine)" + - compartment: "r" + - formula: "C62H111N11O14" + - charge: 0 + - inchis: "" + - !!omap + - id: "am9csa_r" + - name: "AM9 (cyclosporine)" + - compartment: "r" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am19cs_c" + - name: "AM19 (cyclosporine)" + - compartment: "c" + - formula: "C62H111N11O14" + - charge: 0 + - inchis: "" + - !!omap + - id: "am19cs_s" + - name: "AM19 (cyclosporine)" + - compartment: "s" + - formula: "C62H111N11O14" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1acs_c" + - name: "AM1A (cyclosporine)" + - compartment: "c" + - formula: "C62H108N11O14" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1a4ncs_c" + - name: "AM1A4N (cyclosporine)" + - compartment: "c" + - formula: "C61H106N11O14" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1a4ncs_s" + - name: "AM1A4N (cyclosporine)" + - compartment: "s" + - formula: "C61H106N11O14" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1ccs_r" + - name: "AM1c (cyclosporine)" + - compartment: "r" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1accs_r" + - name: "AM1Ac (cyclosporine)" + - compartment: "r" + - formula: "C62H108N11O14" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1accs_c" + - name: "AM1Ac (cyclosporine)" + - compartment: "c" + - formula: "C62H108N11O14" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1accs_s" + - name: "AM1Ac (cyclosporine)" + - compartment: "s" + - formula: "C62H108N11O14" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1alcs_r" + - name: "AM1AL (cyclosporine)" + - compartment: "r" + - formula: "C62H109N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1acs_r" + - name: "AM1A (cyclosporine)" + - compartment: "r" + - formula: "C62H108N11O14" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1acs_s" + - name: "AM1A (cyclosporine)" + - compartment: "s" + - formula: "C62H108N11O14" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1csa_c" + - name: "AM1 (cyclosporine)" + - compartment: "c" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1alcs_c" + - name: "AM1AL (cyclosporine)" + - compartment: "c" + - formula: "C62H109N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1alcs_s" + - name: "AM1AL (cyclosporine)" + - compartment: "s" + - formula: "C62H109N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1c9cs_c" + - name: "AM1c9 (cyclosporine)" + - compartment: "c" + - formula: "C62H111N11O14" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1c4n9cs_c" + - name: "AM1c4N9 (cyclosporine)" + - compartment: "c" + - formula: "C61H109N11O14" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1c4n9cs_s" + - name: "AM1c4N9 (cyclosporine)" + - compartment: "s" + - formula: "C61H109N11O14" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1c9cs_r" + - name: "AM1c9 (cyclosporine)" + - compartment: "r" + - formula: "C62H111N11O14" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1c9cs_s" + - name: "AM1c9 (cyclosporine)" + - compartment: "s" + - formula: "C62H111N11O14" + - charge: 0 + - inchis: "" + - !!omap + - id: "csa_r" + - name: "cyclosporine" + - compartment: "r" + - formula: "C62H111N11O12" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1ccs_c" + - name: "AM1c (cyclosporine)" + - compartment: "c" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1ccs_s" + - name: "AM1c (cyclosporine)" + - compartment: "s" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am1cglc_r" + - name: "AM1c-glucuronide (cyclosporine)" + - compartment: "r" + - formula: "C68H118N11O19" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1cglc_c" + - name: "AM1c-glucuronide (cyclosporine)" + - compartment: "c" + - formula: "C68H118N11O19" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1cglc_s" + - name: "AM1c-glucuronide (cyclosporine)" + - compartment: "s" + - formula: "C68H118N11O19" + - charge: -1 + - inchis: "" + - !!omap + - id: "am1csa_s" + - name: "AM1 (cyclosporine)" + - compartment: "s" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am9csa_c" + - name: "AM9 (cyclosporine)" + - compartment: "c" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am4n9cs_c" + - name: "AM4N9 (cyclosporine)" + - compartment: "c" + - formula: "C61H109N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am4ncs_r" + - name: "AM4N (cyclosporine)" + - compartment: "r" + - formula: "C61H109N11O12" + - charge: 0 + - inchis: "" + - !!omap + - id: "am4n9cs_r" + - name: "AM4N9 (cyclosporine)" + - compartment: "r" + - formula: "C61H109N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "am4n9cs_s" + - name: "AM4N9 (cyclosporine)" + - compartment: "s" + - formula: "C61H109N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "csa_c" + - name: "cyclosporine" + - compartment: "c" + - formula: "C62H111N11O12" + - charge: 0 + - inchis: "" + - !!omap + - id: "am4ncs_c" + - name: "AM4N (cyclosporine)" + - compartment: "c" + - formula: "C61H109N11O12" + - charge: 0 + - inchis: "" + - !!omap + - id: "am4ncs_s" + - name: "AM4N (cyclosporine)" + - compartment: "s" + - formula: "C61H109N11O12" + - charge: 0 + - inchis: "" + - !!omap + - id: "am9csa_s" + - name: "AM9 (cyclosporine)" + - compartment: "s" + - formula: "C62H111N11O13" + - charge: 0 + - inchis: "" + - !!omap + - id: "atvacid_s" + - name: "atorvastatin-acid" + - compartment: "s" + - formula: "C33H34FN2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "atvacid_c" + - name: "atorvastatin-acid" + - compartment: "c" + - formula: "C33H34FN2O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "atvlac_c" + - name: "atorvastatin-lactone" + - compartment: "c" + - formula: "C33H33FN2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "atvethgluc_r" + - name: "atorvastatin-ether-glucuronide -G1" + - compartment: "r" + - formula: "C45H48FN2O17" + - charge: -3 + - inchis: "" + - !!omap + - id: "atvacylgluc_r" + - name: "atorvastatin-acyl-glucuronide / G2" + - compartment: "r" + - formula: "C39H42FN2O11" + - charge: -1 + - inchis: "" + - !!omap + - id: "atvlacgluc_r" + - name: "atorvastatin-lactone-ether-glucuronide / G3" + - compartment: "r" + - formula: "C39H40FN2O10" + - charge: -1 + - inchis: "" + - !!omap + - id: "atvlac_s" + - name: "atorvastatin-lactone" + - compartment: "s" + - formula: "C33H33FN2O4" + - charge: 0 + - inchis: "" + - !!omap + - id: "caribupglu_S_c" + - name: "S-carboxy ibuprofen glucuronide" + - compartment: "c" + - formula: "C19H22O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "caribupglu_S_s" + - name: "S-carboxy ibuprofen glucuronide" + - compartment: "s" + - formula: "C19H22O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "caribup_R_c" + - name: "R-carboxy ibuprofen" + - compartment: "c" + - formula: "C13H14O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "caribup_R_s" + - name: "R-carboxy ibuprofen" + - compartment: "s" + - formula: "C13H14O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "caribup_s_r" + - name: "S-carboxy ibuprofen" + - compartment: "r" + - formula: "C13H14O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "caribupglu_S_r" + - name: "S-carboxy ibuprofen glucuronide" + - compartment: "r" + - formula: "C19H22O10" + - charge: -2 + - inchis: "" + - !!omap + - id: "caribup_s_c" + - name: "S-carboxy ibuprofen" + - compartment: "c" + - formula: "C13H14O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "caribup_s_s" + - name: "S-carboxy ibuprofen" + - compartment: "s" + - formula: "C13H14O4" + - charge: -2 + - inchis: "" + - !!omap + - id: "crglz_c" + - name: "carboxy-gliclazide" + - compartment: "c" + - formula: "C15H17N3O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "crglz_s" + - name: "carboxy-gliclazide" + - compartment: "s" + - formula: "C15H17N3O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "mhglz_r" + - name: "Methyl-hydroxy-gliclazide" + - compartment: "r" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "crglz_r" + - name: "carboxy-gliclazide" + - compartment: "r" + - formula: "C15H17N3O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "crvsm1_r" + - name: "cerivastatin-M1" + - compartment: "r" + - formula: "C24H29FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm24_r" + - name: "cerivastatin-M24" + - compartment: "r" + - formula: "C24H29FNNaO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm1_c" + - name: "cerivastatin-M1" + - compartment: "c" + - formula: "C24H29FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm1_s" + - name: "cerivastatin-M1" + - compartment: "s" + - formula: "C24H29FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm23_r" + - name: "cerivastatin-M23" + - compartment: "r" + - formula: "C25H31FNNaO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvs_s" + - name: "cerivastatin" + - compartment: "s" + - formula: "C25H31FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvs_c" + - name: "cerivastatin" + - compartment: "c" + - formula: "C25H31FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm22_c" + - name: "cerivastatin-M22" + - compartment: "c" + - formula: "C25H29FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvs_r" + - name: "cerivastatin" + - compartment: "r" + - formula: "C25H31FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "cvm1gluc_r" + - name: "cerivastatin-M1-glucuronide" + - compartment: "r" + - formula: "C30H36FNNaO11" + - charge: -1 + - inchis: "" + - !!omap + - id: "crvsm22_r" + - name: "cerivastatin-M22" + - compartment: "r" + - formula: "C25H29FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "cvm23gluc_r" + - name: "cerivastatin-M23-glucuronide" + - compartment: "r" + - formula: "C31H38FNNaO12" + - charge: -1 + - inchis: "" + - !!omap + - id: "crvsm23_c" + - name: "cerivastatin-M23" + - compartment: "c" + - formula: "C25H31FNNaO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm23_s" + - name: "cerivastatin-M23" + - compartment: "s" + - formula: "C25H31FNNaO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm24_c" + - name: "cerivastatin-M24" + - compartment: "c" + - formula: "C24H29FNNaO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm24_s" + - name: "cerivastatin-M24" + - compartment: "s" + - formula: "C24H29FNNaO6" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm31_r" + - name: "cerivastatin-M31" + - compartment: "r" + - formula: "C26H31FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "csasulp_c" + - name: "cyclosporine-sulphate" + - compartment: "c" + - formula: "C62H110N11O15S" + - charge: -1 + - inchis: "" + - !!omap + - id: "csasulp_s" + - name: "cyclosporine-sulphate" + - compartment: "s" + - formula: "C62H110N11O15S" + - charge: -1 + - inchis: "" + - !!omap + - id: "csa_s" + - name: "cyclosporine" + - compartment: "s" + - formula: "C62H111N11O12" + - charge: 0 + - inchis: "" + - !!omap + - id: "cysacmp_c" + - name: "cysteine-conjugate-acetaminophen" + - compartment: "c" + - formula: "C11H14N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "meracmp_c" + - name: "acetaminophen-mercapturate-conjugate/N-acetyl-cysteine-acetaminophen" + - compartment: "c" + - formula: "C13H15N2O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "cysacmp_s" + - name: "cysteine-conjugate-acetaminophen" + - compartment: "s" + - formula: "C11H14N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "crvsm31_c" + - name: "cerivastatin-M31" + - compartment: "c" + - formula: "C26H31FNNaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "fvs_p" + - name: "fluvastatin" + - compartment: "p" + - formula: "C24H25FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "deoxfvs_p" + - name: "deoxy-fluvastatin-dinor" + - compartment: "p" + - formula: "C22H21FNNaO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "deoxfvs_c" + - name: "deoxy-fluvastatin-dinor" + - compartment: "c" + - formula: "C22H21FNNaO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "deoxfvs_s" + - name: "deoxy-fluvastatin-dinor" + - compartment: "s" + - formula: "C22H21FNNaO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "desfvs_r" + - name: "N-desisopropyl-fluvastatin" + - compartment: "r" + - formula: "C21H19FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "desfvs_c" + - name: "N-desisopropyl-fluvastatin" + - compartment: "c" + - formula: "C21H19FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "desfvs_s" + - name: "N-desisopropyl-fluvastatin" + - compartment: "s" + - formula: "C21H19FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "dhglz_c" + - name: "dehydro-gliclazide" + - compartment: "c" + - formula: "C15H18N3O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "dhglz_s" + - name: "dehydro-gliclazide" + - compartment: "s" + - formula: "C15H18N3O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "glz_c" + - name: "Gliclazide" + - compartment: "c" + - formula: "C15H20N3O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "dspvs_r" + - name: "desacyl dehydro-pravastatin" + - compartment: "r" + - formula: "C18H23NaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "dspvs_c" + - name: "desacyl dehydro-pravastatin" + - compartment: "c" + - formula: "C18H23NaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "dspvs_s" + - name: "desacyl dehydro-pravastatin" + - compartment: "s" + - formula: "C18H23NaO5" + - charge: 0 + - inchis: "" + - !!omap + - id: "epoxtac_r" + - name: "31-O-Desmethyl,19-Hydroxy,37, 39-Epoxy-tacrolimus" + - compartment: "r" + - formula: "C41H63NO14" + - charge: 0 + - inchis: "" + - !!omap + - id: "epoxtac_c" + - name: "31-O-Desmethyl,19-Hydroxy,37, 39-Epoxy-tacrolimus" + - compartment: "c" + - formula: "C41H63NO14" + - charge: 0 + - inchis: "" + - !!omap + - id: "epoxtac_s" + - name: "31-O-Desmethyl,19-Hydroxy,37, 39-Epoxy-tacrolimus" + - compartment: "s" + - formula: "C41H63NO14" + - charge: 0 + - inchis: "" + - !!omap + - id: "fvs_s" + - name: "fluvastatin" + - compartment: "s" + - formula: "C24H25FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "fvstet_s" + - name: "des-isopropyl-dihydro-fluvastatin-tetranor" + - compartment: "s" + - formula: "C17H13FNNaO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "fvstetglu_s" + - name: "des-isopropyl-dihydro-fluvastatin-tetranor-glucuronide" + - compartment: "s" + - formula: "C23H20FNNaO8" + - charge: -1 + - inchis: "" + - !!omap + - id: "glc3meacp_s" + - name: "glucuronide-conjugate of 3-methoxy-acetaminophen" + - compartment: "s" + - formula: "C14H16NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "glz_s" + - name: "Gliclazide" + - compartment: "s" + - formula: "C15H20N3O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gtacmp_s" + - name: "glucuronide-thiomethyl-acetaminophen conjugate" + - compartment: "s" + - formula: "C15H18NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibup_R_s" + - name: "ibuprofen-R" + - compartment: "s" + - formula: "C13H17O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibup_S_s" + - name: "ibuprofen-S" + - compartment: "s" + - formula: "C13H17O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibupgluc_s" + - name: "ibuprofen acyl glucuronide" + - compartment: "s" + - formula: "C19H25O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "isolvstacid_s" + - name: "3'-hydroxy-iso-delta-4',5'-hydroxy acid form of lovastatin" + - compartment: "s" + - formula: "C24H37O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "lst4exp_s" + - name: "Losartan-E3174/ losartan-M6" + - compartment: "s" + - formula: "C22H19ClN6O2" + - charge: -2 + - inchis: "" + - !!omap + - id: "lstn_s" + - name: "Losartan" + - compartment: "s" + - formula: "C22H22ClN6O" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstn1gluc_s" + - name: "Losartan-N1-glucuronide" + - compartment: "s" + - formula: "C28H30ClN6O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm1_s" + - name: "Losartan-M1" + - compartment: "s" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm2_s" + - name: "Losartan-M2" + - compartment: "s" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm4_s" + - name: "Losartan-M4 (glucuronide derivative)" + - compartment: "s" + - formula: "C28H27ClN6O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "lstnm5_s" + - name: "Losartan-M5" + - compartment: "s" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm7_s" + - name: "Losartan-N2-glucuronide / Losartan-M7" + - compartment: "s" + - formula: "C28H30ClN6O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "lvst_s" + - name: "lovastatin lactone form" + - compartment: "s" + - formula: "C24H36O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "mdz_s" + - name: "Midazolam" + - compartment: "s" + - formula: "C18H13ClFN3" + - charge: 0 + - inchis: "" + - !!omap + - id: "mdzglc_s" + - name: "Midazolam-glucuronide" + - compartment: "s" + - formula: "C24H21ClFN3O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "meracmp_s" + - name: "acetaminophen-mercapturate-conjugate/N-acetyl-cysteine-acetaminophen" + - compartment: "s" + - formula: "C13H15N2O5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "mhglz_s" + - name: "Methyl-hydroxy-gliclazide" + - compartment: "s" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "ndersv_s" + - name: "N-desmethyl-rosuvastatin" + - compartment: "s" + - formula: "C42H48CaF2N6O12S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "nfd_s" + - name: "Nifedipine" + - compartment: "s" + - formula: "C17H18N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "nfdac_s" + - name: "acid metabolite of nifedipine" + - compartment: "s" + - formula: "C16H13N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "nfdlac_s" + - name: "lactone form of nifedipine" + - compartment: "s" + - formula: "C16H12N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "nfdnpy_s" + - name: "Nitropyridine metabolite of nifedipine" + - compartment: "s" + - formula: "C17H16N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "nfdoh_s" + - name: "hydroxy metabolite of nifedipine" + - compartment: "s" + - formula: "C16H13N2O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "oxyp_s" + - name: "oxypurinol" + - compartment: "s" + - formula: "C5H4N4O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "oxy1rb_s" + - name: "oxypurinol-1-riboside" + - compartment: "s" + - formula: "C10H12N4O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "oxy7rb_s" + - name: "oxypurinol-7-riboside" + - compartment: "s" + - formula: "C10H12N4O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "profvs_s" + - name: "des-isoproylpropionic-acid-fluvastatin" + - compartment: "s" + - formula: "C18H16FNNaO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvst_s" + - name: "pitavastatin" + - compartment: "s" + - formula: "C50H46CaF2N2O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvstlac_s" + - name: "pitavastatin-lactone" + - compartment: "s" + - formula: "C50H44CaF2N2O6" + - charge: 2 + - inchis: "" + - !!omap + - id: "ptvstm3_s" + - name: "pitavastatin-M3" + - compartment: "s" + - formula: "C50H42CaF2N2O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "pvs_s" + - name: "pravastatin" + - compartment: "s" + - formula: "C23H35NaO7" + - charge: 0 + - inchis: "" + - !!omap + - id: "pvsgluc_s" + - name: "pravastatin glucuronide" + - compartment: "s" + - formula: "C29H42NaO13" + - charge: -1 + - inchis: "" + - !!omap + - id: "rsv_s" + - name: "rosuvastatin" + - compartment: "s" + - formula: "C44H54CaF2N6O12S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "rsvlac_s" + - name: "rosuvastatin-5S-lactone" + - compartment: "s" + - formula: "C44H52CaF2N6O10S2" + - charge: 2 + - inchis: "" + - !!omap + - id: "s3meacmp_s" + - name: "sulphate-conjugate-3-methoxy-acetaminophen" + - compartment: "s" + - formula: "C8H8NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "smv_s" + - name: "simvastatin lactone form" + - compartment: "s" + - formula: "C25H38O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "smvacid_s" + - name: "simvastatin dihydroxy acid form" + - compartment: "s" + - formula: "C25H39O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "stacmp_s" + - name: "sulphate-conjugate of thiomethyl-acetaminophen" + - compartment: "s" + - formula: "C9H10NO5S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "sulpacmp_s" + - name: "sulphate-conjugate-acetaminophen" + - compartment: "s" + - formula: "C8H8NO5S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tacr_s" + - name: "Tacrolimus" + - compartment: "s" + - formula: "C44H69NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "tauribup_S_s" + - name: "taurine conjugate of S-ibuprofen" + - compartment: "s" + - formula: "C15H22NO4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "thrfvs_s" + - name: "threo-isomer of fluvastain" + - compartment: "s" + - formula: "C24H25FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "tlacfvs_s" + - name: "trans-lactone-fluvastatin" + - compartment: "s" + - formula: "C24H23FNNaO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "tmd_s" + - name: "Torasemide" + - compartment: "s" + - formula: "C16H19N4O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmdm1_s" + - name: "Torasemide-M1" + - compartment: "s" + - formula: "C16H19N4O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmdm3_s" + - name: "Torasemide-M3" + - compartment: "s" + - formula: "C16H19N4O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmdm5_s" + - name: "Torasemide-M5" + - compartment: "s" + - formula: "C16H16N4O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "tripvs_s" + - name: "triol metabolite of pravastatin" + - compartment: "s" + - formula: "C23H37NaO9" + - charge: 0 + - inchis: "" + - !!omap + - id: "tsacmgluc_s" + - name: "thiomethyl-sulphoxide-acetaminophen-glucuronide" + - compartment: "s" + - formula: "C15H18NO9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tsacmsul_s" + - name: "thiomethyl-sulphoxide-acetaminophen-sulphate" + - compartment: "s" + - formula: "C9H10NO6S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "fvsgluc_r" + - name: "fluvstatin-glucuronide" + - compartment: "r" + - formula: "C30H32FNNaO10" + - charge: -1 + - inchis: "" + - !!omap + - id: "fvstet_r" + - name: "des-isopropyl-dihydro-fluvastatin-tetranor" + - compartment: "r" + - formula: "C17H13FNNaO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "fvstetglu_r" + - name: "des-isopropyl-dihydro-fluvastatin-tetranor-glucuronide" + - compartment: "r" + - formula: "C23H20FNNaO8" + - charge: -1 + - inchis: "" + - !!omap + - id: "fvstetglu_c" + - name: "des-isopropyl-dihydro-fluvastatin-tetranor-glucuronide" + - compartment: "c" + - formula: "C23H20FNNaO8" + - charge: -1 + - inchis: "" + - !!omap + - id: "fvstet_c" + - name: "des-isopropyl-dihydro-fluvastatin-tetranor" + - compartment: "c" + - formula: "C17H13FNNaO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "tlacfvs_r" + - name: "trans-lactone-fluvastatin" + - compartment: "r" + - formula: "C24H23FNNaO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "fvs_c" + - name: "fluvastatin" + - compartment: "c" + - formula: "C24H25FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "3meacmp_r" + - name: "3-methoxy-acetaminophen" + - compartment: "r" + - formula: "C9H11NO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "glc3meacp_r" + - name: "glucuronide-conjugate of 3-methoxy-acetaminophen" + - compartment: "r" + - formula: "C14H16NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "glc3meacp_c" + - name: "glucuronide-conjugate of 3-methoxy-acetaminophen" + - compartment: "c" + - formula: "C14H16NO9" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmacmp_r" + - name: "thiomethyl-conjugate-acetaminophen" + - compartment: "r" + - formula: "C9H11NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "gtacmp_r" + - name: "glucuronide-thiomethyl-acetaminophen conjugate" + - compartment: "r" + - formula: "C15H18NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "gtacmp_c" + - name: "glucuronide-thiomethyl-acetaminophen conjugate" + - compartment: "c" + - formula: "C15H18NO8S" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibupgluc_c" + - name: "ibuprofen acyl glucuronide" + - compartment: "c" + - formula: "C19H25O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibup_S_r" + - name: "ibuprofen-S" + - compartment: "r" + - formula: "C13H17O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibupgluc_r" + - name: "ibuprofen acyl glucuronide" + - compartment: "r" + - formula: "C19H25O8" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibup_R_c" + - name: "ibuprofen-R" + - compartment: "c" + - formula: "C13H17O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibupcoa_R_c" + - name: "ibuprofen-CoA-R form" + - compartment: "c" + - formula: "C34H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "ibup_R_r" + - name: "ibuprofen-R" + - compartment: "r" + - formula: "C13H17O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "2hibup_R_r" + - name: "2-hydroxy-R-ibuprofen" + - compartment: "r" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hibup_R_r" + - name: "3-hydroxy R-ibuprofen" + - compartment: "r" + - formula: "C13H17O3" + - charge: -1 + - inchis: "" + - !!omap + - id: "ibupcoa_S_c" + - name: "ibuprofen-CoA-S form" + - compartment: "c" + - formula: "C34H48N7O17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "ibup_S_c" + - name: "ibuprofen-S" + - compartment: "c" + - formula: "C13H17O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "tauribup_S_c" + - name: "taurine conjugate of S-ibuprofen" + - compartment: "c" + - formula: "C15H22NO4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "isolvstacid_c" + - name: "3'-hydroxy-iso-delta-4',5'-hydroxy acid form of lovastatin" + - compartment: "c" + - formula: "C24H37O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "lst4exp_c" + - name: "Losartan-E3174/ losartan-M6" + - compartment: "c" + - formula: "C22H19ClN6O2" + - charge: -2 + - inchis: "" + - !!omap + - id: "lstn_r" + - name: "Losartan" + - compartment: "r" + - formula: "C22H22ClN6O" + - charge: -1 + - inchis: "" + - !!omap + - id: "lst4exp_r" + - name: "Losartan-E3174/ losartan-M6" + - compartment: "r" + - formula: "C22H19ClN6O2" + - charge: -2 + - inchis: "" + - !!omap + - id: "lstn1gluc_r" + - name: "Losartan-N1-glucuronide" + - compartment: "r" + - formula: "C28H30ClN6O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstn1gluc_c" + - name: "Losartan-N1-glucuronide" + - compartment: "c" + - formula: "C28H30ClN6O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstn_c" + - name: "Losartan" + - compartment: "c" + - formula: "C22H22ClN6O" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm1_r" + - name: "Losartan-M1" + - compartment: "r" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm1_c" + - name: "Losartan-M1" + - compartment: "c" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm2_r" + - name: "Losartan-M2" + - compartment: "r" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm2_c" + - name: "Losartan-M2" + - compartment: "c" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm4_r" + - name: "Losartan-M4 (glucuronide derivative)" + - compartment: "r" + - formula: "C28H27ClN6O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "lstnm4_c" + - name: "Losartan-M4 (glucuronide derivative)" + - compartment: "c" + - formula: "C28H27ClN6O8" + - charge: -2 + - inchis: "" + - !!omap + - id: "lstnm5_r" + - name: "Losartan-M5" + - compartment: "r" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm5_c" + - name: "Losartan-M5" + - compartment: "c" + - formula: "C22H22ClN6O2" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm7_c" + - name: "Losartan-N2-glucuronide / Losartan-M7" + - compartment: "c" + - formula: "C28H30ClN6O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "lstnm7_r" + - name: "Losartan-N2-glucuronide / Losartan-M7" + - compartment: "r" + - formula: "C28H30ClN6O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "lvstacid_c" + - name: "lovastatin-hydroxyacid form" + - compartment: "c" + - formula: "C24H37O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "lvst_c" + - name: "lovastatin lactone form" + - compartment: "c" + - formula: "C24H36O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "lvstacid_s" + - name: "lovastatin-hydroxyacid form" + - compartment: "s" + - formula: "C24H37O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "lvstacid_r" + - name: "lovastatin-hydroxyacid form" + - compartment: "r" + - formula: "C24H37O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "6hlvstacid_r" + - name: "6'-beta-hydroxy-lovastatin-acid form" + - compartment: "r" + - formula: "C24H37O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "6melvacid_r" + - name: "6'-exomethylene-lovastatin-acid form" + - compartment: "r" + - formula: "C24H35O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "lvst_r" + - name: "lovastatin lactone form" + - compartment: "r" + - formula: "C24H36O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "3hlvst_r" + - name: "3''-hydroxy-lovastatin lactone form" + - compartment: "r" + - formula: "C24H36O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "6hlvst_r" + - name: "6'-beta-hydroxy-lovastatin lactone form" + - compartment: "r" + - formula: "C24H36O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "6melvst_r" + - name: "6'-exomethylene-lovastatin lactone form" + - compartment: "r" + - formula: "C24H34O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "mdzglc_c" + - name: "Midazolam-glucuronide" + - compartment: "c" + - formula: "C24H21ClFN3O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "mdz_c" + - name: "Midazolam" + - compartment: "c" + - formula: "C18H13ClFN3" + - charge: 0 + - inchis: "" + - !!omap + - id: "mhglz_c" + - name: "Methyl-hydroxy-gliclazide" + - compartment: "c" + - formula: "C15H20N3O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "rsv_r" + - name: "rosuvastatin" + - compartment: "r" + - formula: "C44H54CaF2N6O12S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "ndersv_r" + - name: "N-desmethyl-rosuvastatin" + - compartment: "r" + - formula: "C42H48CaF2N6O12S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "ndersv_c" + - name: "N-desmethyl-rosuvastatin" + - compartment: "c" + - formula: "C42H48CaF2N6O12S2" + - charge: -2 + - inchis: "" + - !!omap + - id: "nfdac_r" + - name: "acid metabolite of nifedipine" + - compartment: "r" + - formula: "C16H13N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "nfdoh_r" + - name: "hydroxy metabolite of nifedipine" + - compartment: "r" + - formula: "C16H13N2O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "nfdac_c" + - name: "acid metabolite of nifedipine" + - compartment: "c" + - formula: "C16H13N2O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "nfdnpy_r" + - name: "Nitropyridine metabolite of nifedipine" + - compartment: "r" + - formula: "C17H16N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "nfdoh_c" + - name: "hydroxy metabolite of nifedipine" + - compartment: "c" + - formula: "C16H13N2O7" + - charge: -1 + - inchis: "" + - !!omap + - id: "nfdlac_c" + - name: "lactone form of nifedipine" + - compartment: "c" + - formula: "C16H12N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "nfdnpy_c" + - name: "Nitropyridine metabolite of nifedipine" + - compartment: "c" + - formula: "C17H16N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "nfd_c" + - name: "Nifedipine" + - compartment: "c" + - formula: "C17H18N2O6" + - charge: 0 + - inchis: "" + - !!omap + - id: "udprib_c" + - name: "udp-ribose" + - compartment: "c" + - formula: "C14H20N2O17P2" + - charge: -2 + - inchis: "" + - !!omap + - id: "oxy1rb_c" + - name: "oxypurinol-1-riboside" + - compartment: "c" + - formula: "C10H12N4O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "oxy7rb_c" + - name: "oxypurinol-7-riboside" + - compartment: "c" + - formula: "C10H12N4O7" + - charge: 0 + - inchis: "" + - !!omap + - id: "fvscoa_p" + - name: "fluvastatin-CoA form" + - compartment: "p" + - formula: "C45H56FN8NaO19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "profvscoa_p" + - name: "des-isoproylpropionic-acid-fluvastatin-CoA" + - compartment: "p" + - formula: "C37H42FN8NaO17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "profvscoa_c" + - name: "des-isoproylpropionic-acid-fluvastatin-CoA" + - compartment: "c" + - formula: "C37H42FN8NaO17P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "profvs_c" + - name: "des-isoproylpropionic-acid-fluvastatin" + - compartment: "c" + - formula: "C18H16FNNaO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvst_c" + - name: "pitavastatin" + - compartment: "c" + - formula: "C50H46CaF2N2O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvst_r" + - name: "pitavastatin" + - compartment: "r" + - formula: "C50H46CaF2N2O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvstgluc_r" + - name: "pitavastatin-glucuronide" + - compartment: "r" + - formula: "C62H62CaF2N2O20" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvstlac_r" + - name: "pitavastatin-lactone" + - compartment: "r" + - formula: "C50H44CaF2N2O6" + - charge: 2 + - inchis: "" + - !!omap + - id: "ptvstlac_c" + - name: "pitavastatin-lactone" + - compartment: "c" + - formula: "C50H44CaF2N2O6" + - charge: 2 + - inchis: "" + - !!omap + - id: "ptvstm13_r" + - name: "pitavastatin-M13" + - compartment: "r" + - formula: "C50H46CaF2N2O10" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvstm3_c" + - name: "pitavastatin-M3" + - compartment: "c" + - formula: "C50H42CaF2N2O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvstm3_r" + - name: "pitavastatin-M3" + - compartment: "r" + - formula: "C50H42CaF2N2O8" + - charge: 0 + - inchis: "" + - !!omap + - id: "pvsgluc_r" + - name: "pravastatin glucuronide" + - compartment: "r" + - formula: "C29H42NaO13" + - charge: -1 + - inchis: "" + - !!omap + - id: "pvsgluc_c" + - name: "pravastatin glucuronide" + - compartment: "c" + - formula: "C29H42NaO13" + - charge: -1 + - inchis: "" + - !!omap + - id: "rsv_c" + - name: "rosuvastatin" + - compartment: "c" + - formula: "C44H54CaF2N6O12S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "rsvgluc_r" + - name: "rosuvastatin-glucuronide" + - compartment: "r" + - formula: "C56H70CaF2N6O24S2" + - charge: 0 + - inchis: "" + - !!omap + - id: "rsvlac_r" + - name: "rosuvastatin-5S-lactone" + - compartment: "r" + - formula: "C44H52CaF2N6O10S2" + - charge: 2 + - inchis: "" + - !!omap + - id: "rsvlac_c" + - name: "rosuvastatin-5S-lactone" + - compartment: "c" + - formula: "C44H52CaF2N6O10S2" + - charge: 2 + - inchis: "" + - !!omap + - id: "s3meacmp_c" + - name: "sulphate-conjugate-3-methoxy-acetaminophen" + - compartment: "c" + - formula: "C8H8NO6S" + - charge: -1 + - inchis: "" + - !!omap + - id: "smvacid_c" + - name: "simvastatin dihydroxy acid form" + - compartment: "c" + - formula: "C25H39O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "simvgluc_r" + - name: "simvastatin-acyl-glucuronide" + - compartment: "r" + - formula: "C31H47O12" + - charge: -1 + - inchis: "" + - !!omap + - id: "smvacid_r" + - name: "simvastatin dihydroxy acid form" + - compartment: "r" + - formula: "C25H39O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "smv_c" + - name: "simvastatin lactone form" + - compartment: "c" + - formula: "C25H38O5" + - charge: 0 + - inchis: "" + - !!omap + - id: "tmacmp_c" + - name: "thiomethyl-conjugate-acetaminophen" + - compartment: "c" + - formula: "C9H11NO2S" + - charge: 0 + - inchis: "" + - !!omap + - id: "stacmp_c" + - name: "sulphate-conjugate of thiomethyl-acetaminophen" + - compartment: "c" + - formula: "C9H10NO5S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "tacr_c" + - name: "Tacrolimus" + - compartment: "c" + - formula: "C44H69NO12" + - charge: 0 + - inchis: "" + - !!omap + - id: "thrfvs_c" + - name: "threo-isomer of fluvastain" + - compartment: "c" + - formula: "C24H25FNNaO4" + - charge: 0 + - inchis: "" + - !!omap + - id: "thsacmp_r" + - name: "thiomethyl-sulphoxide-conjugate-acetaminophen" + - compartment: "r" + - formula: "C9H11NO3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "tlacfvs_c" + - name: "trans-lactone-fluvastatin" + - compartment: "c" + - formula: "C24H23FNNaO3" + - charge: 0 + - inchis: "" + - !!omap + - id: "tmdm1_c" + - name: "Torasemide-M1" + - compartment: "c" + - formula: "C16H19N4O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmd_r" + - name: "Torasemide" + - compartment: "r" + - formula: "C16H19N4O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmdm1_r" + - name: "Torasemide-M1" + - compartment: "r" + - formula: "C16H19N4O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmdm3_c" + - name: "Torasemide-M3" + - compartment: "c" + - formula: "C16H19N4O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmdm3_r" + - name: "Torasemide-M3" + - compartment: "r" + - formula: "C16H19N4O4S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tmdm5_c" + - name: "Torasemide-M5" + - compartment: "c" + - formula: "C16H16N4O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "tmdm5_r" + - name: "Torasemide-M5" + - compartment: "r" + - formula: "C16H16N4O5S" + - charge: -2 + - inchis: "" + - !!omap + - id: "tmd_c" + - name: "Torasemide" + - compartment: "c" + - formula: "C16H19N4O3S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tripvs_c" + - name: "triol metabolite of pravastatin" + - compartment: "c" + - formula: "C23H37NaO9" + - charge: 0 + - inchis: "" + - !!omap + - id: "tsacmgluc_c" + - name: "thiomethyl-sulphoxide-acetaminophen-glucuronide" + - compartment: "c" + - formula: "C15H18NO9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "tsacmgluc_r" + - name: "thiomethyl-sulphoxide-acetaminophen-glucuronide" + - compartment: "r" + - formula: "C15H18NO9S" + - charge: -1 + - inchis: "" + - !!omap + - id: "thsacmp_c" + - name: "thiomethyl-sulphoxide-conjugate-acetaminophen" + - compartment: "c" + - formula: "C9H11NO3S" + - charge: 0 + - inchis: "" + - !!omap + - id: "tsacmsul_c" + - name: "thiomethyl-sulphoxide-acetaminophen-sulphate" + - compartment: "c" + - formula: "C9H10NO6S2" + - charge: -1 + - inchis: "" + - !!omap + - id: "3hpvscoa_c" + - name: "3'-S-hydroxy-pravastatin-CoA" + - compartment: "c" + - formula: "C44H66N7NaO23P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "3hpvstetcoa_c" + - name: "3'-S-hydroxy-pravastatin-tetranor-CoA" + - compartment: "c" + - formula: "C40H58N7NaO21P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "fvscoa_c" + - name: "fluvastatin-CoA form" + - compartment: "c" + - formula: "C45H56FN8NaO19P3S" + - charge: -4 + - inchis: "" + - !!omap + - id: "mdzglc_r" + - name: "Midazolam-glucuronide" + - compartment: "r" + - formula: "C24H21ClFN3O6" + - charge: -1 + - inchis: "" + - !!omap + - id: "ptvstm13_c" + - name: "pitavastatin-M13" + - compartment: "c" + - formula: "C50H46CaF2N2O10" + - charge: 0 + - inchis: "" + - !!omap + - id: "ptvstm13_s" + - name: "pitavastatin-M13" + - compartment: "s" + - formula: "C50H46CaF2N2O10" + - charge: 0 + - inchis: "" + - !!omap + - id: "acmpglut_r" + - name: "acetaminophen-glutathione-conjugate" + - compartment: "r" + - formula: "C18H27N4O10S" + - charge: 0 + - inchis: "" + - !!omap + - id: "cysacmp_r" + - name: "cysteine-conjugate-acetaminophen" + - compartment: "r" + - formula: "C11H14N2O4S" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01986r" + - name: "glycine" + - compartment: "r" + - formula: "C2H5NO2" + - charge: 0 + - inchis: "1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" + - !!omap + - id: "napqi_r" + - name: "NAPQI" + - compartment: "r" + - formula: "C8H7NO2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02682r" + - name: "PAPS" + - compartment: "r" + - formula: "C10H11N5O13P2S" + - charge: -4 + - inchis: "" + - !!omap + - id: "m02681r" + - name: "PAP" + - compartment: "r" + - formula: "C10H11N5O10P2" + - charge: -4 + - inchis: "" + - !!omap + - id: "m01442m" + - name: "chloride" + - compartment: "m" + - formula: "Cl" + - charge: -1 + - inchis: "" + - !!omap + - id: "m00519c" + - name: "1-alpha,25-dihydroxyvitamin D2" + - compartment: "c" + - formula: "C28H44O3" + - charge: 0 + - inchis: "1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1" + - !!omap + - id: "m00519s" + - name: "1-alpha,25-dihydroxyvitamin D2" + - compartment: "s" + - formula: "C28H44O3" + - charge: 0 + - inchis: "1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1" + - !!omap + - id: "m02039i" + - name: "H+" + - compartment: "i" + - formula: "H" + - charge: 1 + - inchis: "" + - !!omap + - id: "m02751i" + - name: "Pi" + - compartment: "i" + - formula: "HO4P" + - charge: -2 + - inchis: "" + - !!omap + - id: "temp001s" + - name: "biomass" + - compartment: "s" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10000s" + - name: "others" + - compartment: "s" + - formula: "" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10001s" + - name: "steroids" + - compartment: "s" + - formula: "" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10002s" + - name: "xenobiotics" + - compartment: "s" + - formula: "" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10003s" + - name: "arachidonate derivatives" + - compartment: "s" + - formula: "" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10004r" + - name: "cholesterol-ester plasma pool" + - compartment: "r" + - formula: "C28H45O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10004l" + - name: "cholesterol-ester plasma pool" + - compartment: "l" + - formula: "C28H45O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10005s" + - name: "fatty acid pool" + - compartment: "s" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10005c" + - name: "fatty acid pool" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10005l" + - name: "fatty acid pool" + - compartment: "l" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10005r" + - name: "fatty acid pool" + - compartment: "r" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10005p" + - name: "fatty acid pool" + - compartment: "p" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10006s" + - name: "1-acylglycerol-3P pool" + - compartment: "s" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m10006m" + - name: "1-acylglycerol-3P pool" + - compartment: "m" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m10006c" + - name: "1-acylglycerol-3P pool" + - compartment: "c" + - formula: "C4H6O7PR" + - charge: -2 + - inchis: "" + - !!omap + - id: "m10007c" + - name: "acyl-CoA pool" + - compartment: "c" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m10007m" + - name: "acyl-CoA pool" + - compartment: "m" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m10007g" + - name: "acyl-CoA pool" + - compartment: "g" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m10007p" + - name: "acyl-CoA pool" + - compartment: "p" + - formula: "C22H31N7O17P3SR" + - charge: -4 + - inchis: "" + - !!omap + - id: "m10008c" + - name: "protein C terminal" + - compartment: "c" + - formula: "CO2R" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10009c" + - name: "protein N terminal" + - compartment: "c" + - formula: "H3NR" + - charge: 1 + - inchis: "" + - !!omap + - id: "m10010c" + - name: "S-[(2E,6E)-farnesyl]-L-cysteine methyl ester" + - compartment: "c" + - formula: "C19H34NO2S" + - charge: 1 + - inchis: "" + - !!omap + - id: "m10011c" + - name: "N-formyl-L-glutamate" + - compartment: "c" + - formula: "C6H7NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m10011s" + - name: "N-formyl-L-glutamate" + - compartment: "s" + - formula: "C6H7NO5" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02956c" + - name: "TAG-chylomicron pool" + - compartment: "c" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02956l" + - name: "TAG-chylomicron pool" + - compartment: "l" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02959r" + - name: "TAG-VLDL pool" + - compartment: "r" + - formula: "C6H5O6R3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00235g" + - name: "1,2-diacylglycerol-LD-PC pool" + - compartment: "g" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00235n" + - name: "1,2-diacylglycerol-LD-PC pool" + - compartment: "n" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00235s" + - name: "1,2-diacylglycerol-LD-PC pool" + - compartment: "s" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00237n" + - name: "1,2-diacylglycerol-LD-PI pool" + - compartment: "n" + - formula: "C5H6O5R2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01426c" + - name: "CDP-diacylglycerol-CL pool" + - compartment: "c" + - formula: "C14H17N3O15P2R2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m01807c" + - name: "fatty acid-chylomicron pool" + - compartment: "c" + - formula: "CHO2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m01820c" + - name: "fatty acid-VLDL pool" + - compartment: "c" + - formula: "CHO2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m02728m" + - name: "phosphatidate-LD-PC pool" + - compartment: "m" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02730m" + - name: "phosphatidate-LD-PI pool" + - compartment: "m" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02730r" + - name: "phosphatidate-LD-PI pool" + - compartment: "r" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02730g" + - name: "phosphatidate-LD-PI pool" + - compartment: "g" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02731r" + - name: "phosphatidate-LD-PS pool" + - compartment: "r" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02731g" + - name: "phosphatidate-LD-PS pool" + - compartment: "g" + - formula: "C5H5O8PR2" + - charge: -2 + - inchis: "" + - !!omap + - id: "m02838s" + - name: "retinyl-ester" + - compartment: "s" + - formula: "C21H29O2R" + - charge: 0 + - inchis: "" + - !!omap + - id: "m00196r" + - name: "[protein]" + - compartment: "r" + - formula: "X" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10012c" + - name: "cofactor_pool_biomass" + - compartment: "c" + - formula: "" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10013c" + - name: "protein_pool_biomass" + - compartment: "c" + - formula: "" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10014c" + - name: "lipid_pool_biomass" + - compartment: "c" + - formula: "" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10015c" + - name: "metabolite_pool_biomass" + - compartment: "c" + - formula: "" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10016c" + - name: "2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone" + - compartment: "c" + - formula: "C31H46O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10017c" + - name: "3-hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone" + - compartment: "c" + - formula: "C31H48O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10019c" + - name: "5alpha-Pregnan-20alpha-ol-3-one" + - compartment: "c" + - formula: "C21H34O2" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10020c" + - name: "17alpha,20alpha-Dihydroxypregn-4-en-3-one" + - compartment: "c" + - formula: "C21H32O3" + - charge: 0 + - inchis: "" + - !!omap + - id: "m10021c" + - name: "alpha-muricholic acid" + - compartment: "c" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10021s" + - name: "alpha-muricholic acid" + - compartment: "s" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10022c" + - name: "beta-muricholic acid" + - compartment: "c" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10022s" + - name: "beta-muricholic acid" + - compartment: "s" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10023c" + - name: "dehydrocholic acid" + - compartment: "c" + - formula: "C24H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10023s" + - name: "dehydrocholic acid" + - compartment: "s" + - formula: "C24H33O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10024c" + - name: "tauro-alpha-muricholic acid" + - compartment: "c" + - formula: "C26H44NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10024s" + - name: "tauro-alpha-muricholic acid" + - compartment: "s" + - formula: "C26H44NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10025c" + - name: "omega-muricholic acid" + - compartment: "c" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10025s" + - name: "omega-muricholic acid" + - compartment: "s" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10026c" + - name: "taurohyocholic acid" + - compartment: "c" + - formula: "C26H44NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10026s" + - name: "taurohyocholic acid" + - compartment: "s" + - formula: "C26H44NO7S" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10027c" + - name: "glycohyocholic acid" + - compartment: "c" + - formula: "C26H42NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10027s" + - name: "glycohyocholic acid" + - compartment: "s" + - formula: "C26H42NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10028c" + - name: "glycohyodeoxycholic acid" + - compartment: "c" + - formula: "C26H42NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10028s" + - name: "glycohyodeoxycholic acid" + - compartment: "s" + - formula: "C26H42NO5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10029c" + - name: "glycodehydrocholic acid" + - compartment: "c" + - formula: "C26H36NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10029s" + - name: "glycodehydrocholic acid" + - compartment: "s" + - formula: "C26H36NO6" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10030c" + - name: "hyocholic acid" + - compartment: "c" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10030s" + - name: "hyocholic acid" + - compartment: "s" + - formula: "C24H39O5" + - charge: -1 + - inchis: "" + - !!omap + - id: "m10031c" + - name: "tauro-omega-muricholic acid" + - compartment: "c" + - formula: "C26H44NO7S" + 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Diffusion into the blood is assumed." + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "PTCRTD" + - name: "Diffusion of Putriscine into the Endothelial Cells" + - metabolites: !!omap + - m02812c: 1 + - m02812s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 9505881, PMID: 11564949" + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "PTPATe" + - name: "Phosphopantetheine Adenylyltransferase, Extracellular" + - metabolites: !!omap + - m01371s: -1 + - m01674s: 1 + - m02039s: -1 + - m02741s: -1 + - m02759s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "" + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "Q10H2e" + - name: "Transport of Ubiquinol into Lymph" + - metabolites: !!omap + - m03102c: -1 + - m03102s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 17482886." + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "RPEc" + - name: "Ribulose 5-Phosphate 3-Epimerase" + - metabolites: !!omap + - m01761c: 2 + - m02846c: -2 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "Rpe" + - eccodes: "5.1.3.1" + - references: "PMID: 4382012, PMID: 13575411, Harpers illustrated Biochemistry (2009) 28th edition pages 174-183" + - subsystem: + - "Pentose phosphate pathway" + - confidence_score: 0 + - !!omap + - id: "SFCYSc" + - name: "Formation of Sulfocysteine" + - metabolites: !!omap + - m01628c: -1 + - m02039c: -1 + - m02949c: -1 + - slfcys_c: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 2621485" + - subsystem: + - "Cysteine and methionine metabolism" + - confidence_score: 0 + - !!omap + - id: "SFCYSe" + - name: "Secretion of Sulfocysteine into Extracellular Space" + - metabolites: !!omap + - slfcys_c: -1 + - slfcys_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 2621485" + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "TAURCHAe" + - name: "Secretion of Taurine" + - metabolites: !!omap + - m02961c: -1 + - m02961s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 14992263" + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "TTDCAFATPc" + - name: "Uptake of Hexadecanoate" + - metabolites: !!omap + - m01334c: 1 + - m01371c: -1 + - m01597c: -1 + - m02494s: -1 + - m02495c: 1 + - m02759c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 10518211, PMID: 20086080, PMID: 12856180, Immun., Endoc. & Metab. Agents in Med. Chem., 2009, 9, 11-17," + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "q10h2tc" + - name: "Transport of Ubiquinol into Cytosol" + - metabolites: !!omap + - m03102c: 1 + - m03102m: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "" + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "q10tm" + - name: "Transport of Ubiquinone into Mitochondria" + - metabolites: !!omap + - m03103c: -1 + - m03103m: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "" + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - !!omap + - id: "34HPPte" + - name: "Transport of 3- (4-Hydroxyphenyl)Pyruvate" + - metabolites: !!omap + - m01005c: 1 + - m01005s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "" + - subsystem: + - "Transport reactions" + - confidence_score: 0 + - 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Journal of Thermal Analysis ; Calorimetry 102(1): 305-312, PMID: 1794262" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "7AHGLZhr" + - name: "oxidation of gliclazide to 7-alpha-OH-gliclazide in hepatocytes" + - metabolites: !!omap + - 7ahglz_r: 1 + - glz_r: -1 + - m02039r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 18204476, PMID: 1794262, PMID: 17517049, PMID: 8825191, PMID: 3984386" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "7AHGLZtev" + - name: "excretion of 7-alpha-OH-gliclazide into hepatic vein" + - metabolites: !!omap + - 7ahglz_c: -1 + - 7ahglz_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8825191." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "7BHGLZABCt" + - name: "excretion of 7-beta-OH-gliclazide into bile" + - metabolites: !!omap + - 7bhglz_c: -1 + - 7bhglz_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "Sarkar, A., Tiwari, A., Bhasin, P. 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Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ACMPGLUTthc" + - name: "uptake of acetaminophen-glutathione-conjugate by the hepatocytes" + - metabolites: !!omap + - acmpglut_c: 1 + - acmpglut_s: -1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "MRP" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ACMPGLUtep" + - name: "efflux of acetaminophen-glucuronide-conjugate from enterocytes into portal blood" + - metabolites: !!omap + - acmpglu_c: -1 + - acmpglu_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "MRP" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ACMPGLUthc" + - name: "uptake of acetaminophen-glucuronide-conjugate by the hepatocytes" + - metabolites: !!omap + - acmpglu_c: 1 + - acmpglu_s: -1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "MRP" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ACMPShc" + - name: "sulphation of acetaminophen in hepatocytes" + - metabolites: !!omap + - acmp_c: -1 + - m02039c: 1 + - m02681c: 1 + - m02682c: -1 + - sulpacmp_c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "St1" + - eccodes: "2.8.2.1" + - references: "PMID: 2088871, PMID: 11535246, PMID: 9194521, PMID: 11215692, Graham, G. ; M. Hicks (2004). Pharmacokinetics ; Metabolism of Paracetamol (Acetaminophen). Aspirin ; Related Drugs, CRC Press." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ACMPdt" + - name: "uptake of acetaminophen by enterocytes" + - metabolites: !!omap + - acmp_c: 1 + - acmp_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8165189, PMID: 34689, Graham, G. ; M. Hicks (2004). Pharmacokinetics ; Metabolism of Paracetamol (Acetaminophen). Aspirin ; Related Drugs, CRC Press." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ACMPthc" + - name: "uptake of acetaminophen by the hepatocytes" + - metabolites: !!omap + - acmp_c: 1 + - acmp_s: -1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "MRP" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ALLOP1tu" + - name: "uptake of allopurinol by the enterocytes" + - metabolites: !!omap + - allop_c: 1 + - allop_s: -1 + - m02519c: 1 + - m02519s: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "CNT1 or CNT2" + - eccodes: "" + - references: "PMID: 14625347, PMID: 17722647." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ALLOPOXDhep" + - name: "oxidation of allopurinol to oxypurinol in hepatocytes" + - metabolites: !!omap + - allop_c: -1 + - m02040c: -1 + - m02041c: 1 + - m02630c: -1 + - oxyp_c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "ry" + - eccodes: "1.17.3.2;1.2.3.1" + - references: "PMID: 17655371" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ALLOPtepvb" + - name: "uptake of allopurinol by the hepatocytes" + - metabolites: !!omap + - allop_c: 1 + - allop_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "CG3168" + - eccodes: "" + - references: "Pang, K. 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G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1A4NCShc" + - name: "demethylation of AM1A to AM1A4N in hepatocytes" + - metabolites: !!omap + - am1a4ncs_c: 1 + - am1acs_c: -1 + - m02039c: -1 + - m02871c: -1 + - m02877c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1A4NCSteb" + - name: "efflux of AM1A4N-cyclosporine into bile" + - metabolites: !!omap + - am1a4ncs_c: -1 + - am1a4ncs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1788988, PMID: 8361996, PMID: 8595701, PMID: 3276417, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1ACCShr" + - name: "oxidation of AM1c to AM1Ac in hepatocytes (alternative mechanism)" + - metabolites: !!omap + - am1accs_r: 1 + - am1ccs_r: -1 + - m02039r: 1 + - m02040r: 1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8595701, PMID: 8361996" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1ACCStev" + - name: "efflux of AM1Ac-cyclosporine into hepatic vein" + - metabolites: !!omap + - am1accs_c: -1 + - am1accs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1788988, PMID: 8361996, PMID: 8595701, PMID: 3276417, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1ACShr" + - name: "formation of AM1A-cyclosporine in hepatocytes" + - metabolites: !!omap + - am1acs_r: 1 + - am1alcs_r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1ACSteb" + - name: "efflux of AM1A-cyclosporine into bile" + - metabolites: !!omap + - am1acs_c: -1 + - am1acs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1ACStep" + - name: "efflux of AM1A (cyclosporine) into portal blood" + - metabolites: !!omap + - am1acs_c: -1 + - am1acs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1ALCShr" + - name: "formation of AM1AL-cyclosporine in hepatocytes" + - metabolites: !!omap + - am1alcs_c: 1 + - am1csa_c: -1 + - m02039c: 1 + - m02554c: -1 + - m02555c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1ALCSteb" + - name: "efflux of AM1AL-cyclosporine into bile" + - metabolites: !!omap + - am1alcs_c: -1 + - am1alcs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1788988, PMID: 8361996, PMID: 8595701, PMID: 3276417, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1ALCStep" + - name: "efflux of AM1AL (cyclosporine) into portal blood" + - metabolites: !!omap + - am1alcs_c: -1 + - am1alcs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1C4N9CShc" + - name: "demethylation of AM1c9 to AM1c4N9 in hepatocytes (alternative mechanism)" + - metabolites: !!omap + - am1c4n9cs_c: 1 + - am1c9cs_c: -1 + - m02039c: -1 + - m02871c: -1 + - m02877c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8595701, PMID: 8361996" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1C4N9CSteb" + - name: "efflux of AM1c4N9-cyclosporine into bile" + - metabolites: !!omap + - am1c4n9cs_c: -1 + - am1c4n9cs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1788988, PMID: 8361996, PMID: 8595701, PMID: 3276417, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1C9CShr" + - name: "oxidation of AM1c to AM1c9 in hepatocytes (alternative mechanism)" + - metabolites: !!omap + - am1c9cs_r: 1 + - am1ccs_r: -1 + - m02039r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8595701, PMID: 8361996" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1C9CSteb" + - name: "efflux of AM1c9-cyclosporine into bile" + - metabolites: !!omap + - am1c9cs_c: -1 + - am1c9cs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1C9CStev" + - name: "efflux of AM1c9-cyclosporine into hepatic vein" + - metabolites: !!omap + - am1c9cs_c: -1 + - am1c9cs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1CCShr" + - name: "oxidation of cyclosporine to AM1c in hepatocytes" + - metabolites: !!omap + - am1ccs_r: 1 + - csa_r: -1 + - m02039r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1CCSteb" + - name: "efflux of AM1c-cyclosporine into bile" + - metabolites: !!omap + - am1ccs_c: -1 + - am1ccs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1CCStev" + - name: "efflux of AM1c-cyclosporine into hepatic vein" + - metabolites: !!omap + - am1ccs_c: -1 + - am1ccs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1CGLChr" + - name: "glucuronidation of AM1c in hepatocytes" + - metabolites: !!omap + - am1ccs_r: -1 + - am1cglc_r: 1 + - m02039r: 1 + - m03106r: 1 + - m03109r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1CGLCteb" + - name: "efflux of AM1c-glucuronide into bile" + - metabolites: !!omap + - am1cglc_c: -1 + - am1cglc_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1CSAhr" + - name: "oxidation of cyclosporine to AM1 in hepatocytes" + - metabolites: !!omap + - am1csa_r: 1 + - csa_r: -1 + - m02039r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Cyp9c1 or Cyp9f2" + - eccodes: "1.14.13.-;1.14.14.1" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM1CSAtep" + - name: "efflux of AM1 (cyclosporine) into portal blood" + - metabolites: !!omap + - am1csa_c: -1 + - am1csa_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM4N9CShc" + - name: "demethylation of AM9 to AM4N9 in hepatocytes" + - metabolites: !!omap + - am4n9cs_c: 1 + - am9csa_c: -1 + - m02039c: -1 + - m02871c: -1 + - m02877c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM4N9CShr" + - name: "oxidation of AM4N to AM4N9 in hepatocytes" + - metabolites: !!omap + - am4n9cs_r: 1 + - am4ncs_r: -1 + - m02039r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM4N9CStev" + - name: "efflux of AM4N9-cyclosporine into hepatic vein" + - metabolites: !!omap + - am4n9cs_c: -1 + - am4n9cs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM4NC9CSteb" + - name: "efflux of AM4N9-cyclosporine into bile" + - metabolites: !!omap + - am4n9cs_c: -1 + - am4n9cs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM4NCShr" + - name: "demethylation of cyclosporine to AM4N in hepatocytes" + - metabolites: !!omap + - am4ncs_c: 1 + - csa_c: -1 + - m02039c: -1 + - m02871c: -1 + - m02877c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM4NCSteb" + - name: "efflux of AM4N-cyclosporine into bile" + - metabolites: !!omap + - am4ncs_c: -1 + - am4ncs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM4NCStep" + - name: "efflux of AM4N (cyclosporine) into portal blood" + - metabolites: !!omap + - am4ncs_c: -1 + - am4ncs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM9CSAhr" + - name: "oxidation of cyclosporine to AM9 in hepatocytes" + - metabolites: !!omap + - am9csa_r: 1 + - csa_r: -1 + - m02039r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Cyp9c1 or Cyp9f2" + - eccodes: "1.14.13.-;1.14.14.1" + - references: "PMID: 8361996, PMID: 2568911, PMID: 10503812" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM9CSAteb" + - name: "efflux of AM9-cyclosporine into bile" + - metabolites: !!omap + - am9csa_c: -1 + - am9csa_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "AM9CSAtep" + - name: "efflux of AM9 (cyclosporine) into portal blood" + - metabolites: !!omap + - am9csa_c: -1 + - am9csa_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8849485, PMID: 1389941, PMID: 8361996, PMID: 8595701" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVACIDMCTtu" + - name: "uptake of atorvastatin by enterocytes by MCT1" + - metabolites: !!omap + - atvacid_c: 1 + - atvacid_s: -1 + - m02039c: 1 + - m02039s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "hrm" + - eccodes: "" + - references: "PMID: 10751037, PMID: 14695265, PMID: 9639576" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVACIDOATPtu" + - name: "uptake of atorvastatin by enterocytes" + - metabolites: !!omap + - atvacid_c: 1 + - atvacid_s: -1 + - m02046c: -1 + - m02046s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "Oatp33Ea or Oatp58Da or Oatp58Db or Oatp58Dc or Oatp74D" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49, PMID: 21710988." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVACIDhr" + - name: "spontaneous conversion of atorvastatin ether glucuronide (G1) to atorvastatin-acid" + - metabolites: !!omap + - atvacid_r: 1 + - atvethgluc_r: -1 + - m01973r: 2 + - m02040r: -2 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 17470524" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVACIDtdu" + - name: "passive diffusion of atorvastatin into enterocytes" + - metabolites: !!omap + - atvacid_c: 1 + - atvacid_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 21710988, PMID: 14531725" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVACIDtu" + - name: "efflux of atorvastatin acid by P-gp from the enterocytes into lumen" + - metabolites: !!omap + - atvacid_c: -1 + - atvacid_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Mdr50" + - eccodes: "3.6.3.44" + - references: "PMID: 10751037, PMID: 15616150" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVACYLGLUChc" + - name: "glucuronidation of atorvastatin to atorvastatin acyl glucuronide (G2) in hepatocytes" + - metabolites: !!omap + - atvacid_r: -1 + - atvacylgluc_r: 1 + - m03106r: 1 + - m03109r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Ugt301D1 or Ugt302E1 or Ugt35A1 or Ugt35C1 or Ugt35D1 or Ugt35E1 or Ugt35E2 or Ugt49B1 or Ugt49B2 or Ugt49C1" + - eccodes: "2.4.1.17" + - references: "PMID: 17470524" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVETHGLUChc" + - name: "glucuronidation of atorvastatin to atorvastatin ether glucuronide (G1) in hepatocytes" + - metabolites: !!omap + - atvacid_r: -1 + - atvethgluc_r: 1 + - m02039r: 2 + - m03106r: 2 + - m03109r: -2 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Ugt301D1 or Ugt35A1 or Ugt35C1 or Ugt35D1 or Ugt35E2 or Ugt49B1 or Ugt49B2" + - eccodes: "2.4.1.17" + - references: "PMID: 17470524" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVLACGLCURhc" + - name: "glucuronidation of atorvastatin lactone to atorvastain lactone ether glucuronide (G3) in hepatocytes" + - metabolites: !!omap + - atvlac_r: -1 + - atvlacgluc_r: 1 + - m02039r: 1 + - m03106r: 1 + - m03109r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Ugt301D1 or Ugt302E1 or Ugt35A1 or Ugt35C1 or Ugt35D1 or Ugt35E1 or Ugt35E2 or Ugt49B1 or Ugt49B2 or Ugt49C1" + - eccodes: "2.4.1.17" + - references: "PMID: 17470524" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVLACThc" + - name: "uptake of atorvastatin-lactone into hepatocytes" + - metabolites: !!omap + - atvlac_c: 1 + - atvlac_s: -1 + - m02046c: -1 + - m02046s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "Oatp33Ea or Oatp58Da or Oatp58Db or Oatp58Dc or Oatp74D" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49, PMID: 21942630." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVLACh2r" + - name: "spontaneous conversion of glucuronide (G2) to lactone form of atorvastatin" + - metabolites: !!omap + - atvacylgluc_r: -1 + - atvlac_r: 1 + - m01973r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 17470524" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVLAChc" + - name: "lactonization of atorvastatin in hepatocytes" + - metabolites: !!omap + - atvacid_c: -1 + - atvlac_c: 1 + - m01334c: 1 + - m01371c: -1 + - m02759c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 11038166, PMID: 14531725, PMID: 11950779" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVLAChr" + - name: "spontaneous conversion of atorvastain lactone ether glucuronide (G3) to atorvastatin-lactone in hepatocytes" + - metabolites: !!omap + - atvlac_r: 1 + - atvlacgluc_r: -1 + - m01973r: 1 + - m02040r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 17470524" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVLACtdhc" + - name: "passive diffusion of atorvastatin lactone into hepatocytes" + - metabolites: !!omap + - atvlac_c: 1 + - atvlac_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 21710988, PMID: 14531725" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "ATVLACtu" + - name: "efflux of atorvastatin lactone by P-gp from the enterocytes into lumen" + - metabolites: !!omap + - atvlac_c: -1 + - atvlac_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Mdr50" + - eccodes: "3.6.3.44" + - references: "PMID: 15616150" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "Am19CStev" + - name: "efflux of AM19-cyclosporine into hepatic vein" + - metabolites: !!omap + - am19cs_c: -1 + - am19cs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "Am1CSAteb" + - name: "efflux of AM1-cyclosporine into bile" + - metabolites: !!omap + - am1csa_c: -1 + - am1csa_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8361996, PMID: 8595701, PMID: 3276417, PMID: 1788988, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CARBIBUP_SGLUthv" + - name: "release of S-carboxy ibuprofen glucuronide into hepatic vein" + - metabolites: !!omap + - caribupglu_S_c: -1 + - caribupglu_S_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 9515184, Graham, G. ; K. Williams (2004). Metabolism ; Pharmacokinetics of Ibuprofen. Aspirin ; Related Drugs, CRC Press." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CARIBUP_Rthv" + - name: "release of R-carboxy ibuprofen into hepatic vein" + - metabolites: !!omap + - caribup_R_c: -1 + - caribup_R_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 9515184, Graham, G. ; K. Williams (2004). Metabolism ; Pharmacokinetics of Ibuprofen. Aspirin ; Related Drugs, CRC Press." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CARIBUP_SGLUhep" + - name: "glucuronidation of S-carboxy ibuprofen" + - metabolites: !!omap + - caribup_s_r: -1 + - caribupglu_S_r: 1 + - m03106r: 1 + - m03109r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Ugt301D1 or Ugt302E1 or Ugt35A1 or Ugt35C1 or Ugt35D1 or Ugt35E2 or Ugt49B1 or Ugt49B2" + - eccodes: "2.4.1.17" + - references: "PMID: 9515184." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CARIBUP_Sthv" + - name: "release of S-carboxy ibuprofen into hepatic vein" + - metabolites: !!omap + - caribup_s_c: -1 + - caribup_s_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 9515184, Graham, G. ; K. Williams (2004). Metabolism ; Pharmacokinetics of Ibuprofen. Aspirin ; Related Drugs, CRC Press." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRGLZABCt" + - name: "excretion of carboxy-gliclazide into bile" + - metabolites: !!omap + - crglz_c: -1 + - crglz_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "Sarkar, A., Tiwari, A., Bhasin, P. S., Mitra, M. (2011). Pharmacological ; Pharmaceutical Profile of Gliclazide: A Review. Journal of Applied Pharmaceutical Science 1(9): 11-19, Zayed, M., F. Nour El-Dien, et al. (2010). Mass spectra of gliclazide drug at various ion sources temperature: Its thermal behavior ; molecular orbital calculations. Journal of Thermal Analysis ; Calorimetry 102(1): 305-312, PMID: 1794262" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRGLZhr" + - name: "oxidation of methyl-hydroxy-gliclazide to carboxy-gliclazide in hepatocytes" + - metabolites: !!omap + - crglz_r: 1 + - m02039r: 1 + - m02040r: 1 + - m02630r: -1 + - mhglz_r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 18204476, PMID: 1794262, PMID: 17517049, PMID: 8825191, PMID: 3984386" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRGLZtev" + - name: "excretion of carboxy-gliclazide into hepatic vein" + - metabolites: !!omap + - crglz_c: -1 + - crglz_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 8825191." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVS1M24hc" + - name: "hydroxylation of cerivastatin-M1 to M24 in hepatocytes" + - metabolites: !!omap + - crvsm1_r: -1 + - crvsm24_r: 1 + - m02039r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Cyp18a1 or Cyp9c1 or Cyp9f2" + - eccodes: "1.14.14.1;1.14.13.-" + - references: "PMID: 10976657, PMID: 12433802, PMID: 9172950, PMID: 10976657, PMID: 20739906, PMID: 9804052, PMID: 11129127" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVS1tev" + - name: "exit of cerivastatin-M1 into hepatic vein" + - metabolites: !!omap + - crvsm1_c: -1 + - crvsm1_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 10976657" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVS23M24hc" + - name: "demethylation of cerivastatin-M23 to M24 in hepatocytes" + - metabolites: !!omap + - crvsm23_r: -1 + - crvsm24_r: 1 + - m02039r: -2 + - m02041r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - m02871r: -1 + - m02877r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Cyp18a1 or Cyp9c1 or Cyp9f2" + - eccodes: "1.14.14.1;1.14.13.-" + - references: "PMID: 10976657, PMID: 12433802, PMID: 9172950, PMID: 10976657, PMID: 20739906, PMID: 9804052, PMID: 11129127" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSATPthc" + - name: "cerivastatin uptake by hepatocytes by active transport" + - metabolites: !!omap + - crvs_c: 1 + - crvs_s: -1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 10976657" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSATPtu" + - name: "efflux of cerivastatin by P-gp or BCRP from the enterocytes into lumen" + - metabolites: !!omap + - crvs_c: -1 + - crvs_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Mdr50 or w" + - eccodes: "3.6.3.44" + - references: "PMID: 20103563, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter. New York, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM1SPhc" + - name: "de-lactonization of cerivastatin-M22 to cerivastatin-M1 in hepatocytes" + - metabolites: !!omap + - crvsm1_c: 1 + - crvsm22_c: -1 + - m02039c: -1 + - m02040c: -1 + - m02871c: -1 + - m02877c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 9172950, PMID: 11950779, PMID: 15801541" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM1hc" + - name: "demethylation of cerivastatin to M1 in hepatocytes" + - metabolites: !!omap + - crvs_r: -1 + - crvsm1_r: 1 + - m02039r: -2 + - m02041r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - m02871r: -1 + - m02877r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Cyp18a1 or Cyp9c1 or Cyp9f2" + - eccodes: "1.14.14.1;1.14.13.-" + - references: "PMID: 12433802, PMID: 9172950, PMID: 10976657, PMID: 20739906, PMID: 9804052, PMID: 11129127" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM1hr" + - name: "beta-glucuronidase of cerivastatin-M1-glucuronide to M1 form" + - metabolites: !!omap + - crvsm1_r: 1 + - cvm1gluc_r: -1 + - m01973r: 1 + - m02040r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "CG15117" + - eccodes: "3.2.1.31" + - references: "PMID: 9172950, PMID: 11950779, PMID: 15801541" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM1teb" + - name: "efflux of cerivastatin-M1 into bile" + - metabolites: !!omap + - crvsm1_c: -1 + - crvsm1_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "w" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM22hc" + - name: "spontaneous conversion of glucuronide to cerivastatin-M22 in hepatocytes" + - metabolites: !!omap + - crvsm22_r: 1 + - cvm1gluc_r: -1 + - m01973r: 1 + - m02039r: 1 + - m02871r: 1 + - m02877r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 9172950, PMID: 11950779, PMID: 15801541" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM23hc" + - name: "hydroxylation of cerivastatin to M23 in hepatocytes" + - metabolites: !!omap + - crvs_r: -1 + - crvsm23_r: 1 + - m02039r: -1 + - m02040r: 1 + - m02554r: 1 + - m02555r: -1 + - m02630r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Cyp18a1" + - eccodes: "1.14.14.1" + - references: "PMID: 12433802,PMID: 9172950, PMID: 10976657, PMID: 20739906, PMID: 9804052, PMID: 11129127" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM23hr" + - name: "beta-glucuronidase of cerivastatin-M23-glucuronide to M23 form" + - metabolites: !!omap + - crvsm23_r: 1 + - cvm23gluc_r: -1 + - m01973r: 1 + - m02040r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "CG15117" + - eccodes: "3.2.1.31" + - references: "PMID: 9172950, PMID: 11950779, PMID: 15801541" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM23teb" + - name: "efflux of cerivastatin-M23 into bile" + - metabolites: !!omap + - crvsm23_c: -1 + - crvsm23_s: 1 + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "w" + - eccodes: "" + - references: "Russel, F. 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Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM24tev" + - name: "exit of cerivastatin-M24 into hepatic vein" + - metabolites: !!omap + - crvsm24_c: -1 + - crvsm24_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 10976657" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSM31hc" + - name: "spontaneous conversion of glucuronide to cerivastatin-M31 in hepatocytes" + - metabolites: !!omap + - crvsm31_r: 1 + - cvm23gluc_r: -1 + - m01973r: 1 + - m02039r: 1 + - m02871r: 1 + - m02877r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 9172950, PMID: 11950779, PMID: 15801541" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVStu" + - name: "cerivastatin uptake by enterocytes" + - metabolites: !!omap + - crvs_c: 1 + - crvs_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 10976657" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "CRVSthc" + - name: "cerivastatin uptake by hepatocytes" + - metabolites: !!omap + - crvs_c: 1 + - crvs_s: -1 + - m02046c: -1 + - m02046s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "Oatp33Ea or Oatp58Da or Oatp58Db or Oatp58Dc or Oatp74D" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. 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Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PTVSTM3hc" + - name: "oxidation of pitavastatin to pitavastatin-M3 in hepatocytes" + - metabolites: !!omap + - m02040r: 2 + - m02630r: -1 + - ptvst_r: -1 + - ptvstm3_r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Cyp9c1 or Cyp9f2" + - eccodes: "1.14.13.-" + - references: "PMID: 12519692, PMID: 10077432" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PTVSTtep" + - name: "efflux of pitavastatin from enterocytes into portal blood" + - metabolites: !!omap + - ptvst_c: -1 + - ptvst_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 17721009, PMID: 17657716, PMID: 17086094" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PTVSTtu" + - name: "uptake of pitavastatin by enterocytes" + - metabolites: !!omap + - m02046c: -1 + - m02046s: 1 + - ptvst_c: 1 + - ptvst_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "Oatp33Ea or Oatp58Da or Oatp58Db or Oatp58Dc or Oatp74D" + - eccodes: "" + - references: "Russel, F. 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Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PVSATPtu" + - name: "pravastatin efflux into lumen for excretion into feces" + - metabolites: !!omap + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - pvs_c: -1 + - pvs_s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "MRP or w" + - eccodes: "" + - references: "PMID: 17177112" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PVSGLUChc" + - name: "glucuronidation of pravastatin in hepatocytes" + - metabolites: !!omap + - m02039r: 1 + - m03106r: 1 + - m03109r: -1 + - pvs_r: -1 + - pvsgluc_r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1680649, PMID: 11950779" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PVSGLUCteb" + - name: "efflux of pravastatin glucuronide into bile" + - metabolites: !!omap + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - pvsgluc_c: -1 + - pvsgluc_s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "MRP or Mdr50 or w" + - eccodes: "" + - references: "PMID: 16714062, PMID: 17177112" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PVSGLUCtev" + - name: "exit of pravastatin glucuronide into hepatic vein" + - metabolites: !!omap + - pvsgluc_c: -1 + - pvsgluc_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1680649, PMID: 11192473, PMID: 9804052, PMID: 16714062, PMID: 18563955" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PVSHtu" + - name: "uptake of pravastatin by enterocytes via proton coupled mechanism" + - metabolites: !!omap + - m02039c: 1 + - m02039s: -1 + - pvs_c: 1 + - pvs_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 11192473, PMID: 1680649, PMID: 11192473" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PVSOATPtu" + - name: "uptake of pravastatin by enterocytes" + - metabolites: !!omap + - m02046c: -1 + - m02046s: 1 + - pvs_c: 1 + - pvs_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "Oatp33Ea or Oatp58Da or Oatp58Db or Oatp58Dc or Oatp74D" + - eccodes: "" + - references: "PMID: 12724351, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "PVStep" + - name: "pravastatin exit into portal blood" + - metabolites: !!omap + - pvs_c: -1 + - pvs_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 11192473" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "RSVATPtu" + - name: "efflux of rosuvastatin by BCRP from the enterocytes into lumen" + - metabolites: !!omap + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - rsv_c: -1 + - rsv_s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "w" + - eccodes: "" + - references: "Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal. Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter. New York, Springer New York: 27-49., PMID: 23140240" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "RSVGLUChc" + - name: "glucuronidation of rosuvastatin in hepatocytes" + - metabolites: !!omap + - m03106r: 2 + - m03109r: -2 + - rsv_r: -1 + - rsvgluc_r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 14693307, PMID: 11256847, PMID: 22108655" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "RSVLAChv" + - name: "spontaneous conversion to rosuvastatin-5S-lactone in hepatocytes" + - metabolites: !!omap + - m01973r: 2 + - rsvgluc_r: -1 + - rsvlac_r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 14693307, PMID: 11256847, PMID: 22108655, PMID: 11950779, PMID: 15801541" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "RSVLACteb" + - name: "efflux of rosuvastatin-5S-lactone into bile" + - metabolites: !!omap + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - rsvlac_c: -1 + - rsvlac_s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "w" + - eccodes: "" + - references: "Russel, F. 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Peter, Springer New York: 27-49." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "RSVhc" + - name: "beta-glucuronidase of rosuvastatin-glucuronide in hepatocytes" + - metabolites: !!omap + - m01973r: 2 + - m02039r: 2 + - m02040r: -2 + - rsv_r: 1 + - rsvgluc_r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 14693307, PMID: 11256847, PMID: 22108655, PMID: 11950779, PMID: 15801541" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "RSVtev" + - name: "exit of rosuvastatin into hepatic vein" + - metabolites: !!omap + - rsv_c: -1 + - rsv_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 11256847, PMID: 14693307" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "RSVtu" + - name: "uptake of rosuvastatin by enterocytes" + - metabolites: !!omap + - m02046c: -1 + - m02046s: 1 + - rsv_c: 1 + - rsv_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "Oatp33Ea or Oatp58Da or Oatp58Db or Oatp58Dc or Oatp74D" + - eccodes: "" + - references: "Russel, F. 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Aspirin ; Related Drugs, CRC Press." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "S3MEACMPtev" + - name: "efflux of sulphate-conjugate-3-methoxy-acetaminophen into hepatic vein" + - metabolites: !!omap + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - s3meacmp_c: -1 + - s3meacmp_s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1026559, PMID: 11215692, Graham, G. ; M. Hicks (2004). Pharmacokinetics ; Metabolism of Paracetamol (Acetaminophen). 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Goodman & Gilmans: The pharmacological basis of therapeutics, The McGraw-Hill companies, PMID: 19482594, PMID: 16321621, PMID: 15497697." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "SMVACIDhep" + - name: "beta-glucuronidation of simvastatin-acyl-glucuronide to simvastatin dihydroxy acid form" + - metabolites: !!omap + - m01973r: 1 + - m02039r: 1 + - m02040r: -1 + - simvgluc_r: -1 + - smvacid_r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "CG15117" + - eccodes: "3.2.1.31" + - references: "PMID: 11950779" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "SMVACIDtev" + - name: "efflux of simvastatin dihydroxy acid form into hepatic vein" + - metabolites: !!omap + - smvacid_c: -1 + - smvacid_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1971563." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "SMVtu" + - name: "efflux of simvastatin by P-gp from the enterocytes into lumen" + - metabolites: !!omap + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - smv_c: -1 + - smv_s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Mdr50" + - eccodes: "3.6.3.44" + - references: "PMID: 15616150" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "SMVGLUCLAChep" + - name: "spontaneous conversion of glucuronide to lactone form of simvastatin" + - metabolites: !!omap + - m01973r: 1 + - simvgluc_r: -1 + - smv_r: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 11950779" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "SMVGLUChep" + - name: "glucuronidation of the open acid form of simvastatin" + - metabolites: !!omap + - m03106r: 1 + - m03109r: -1 + - simvgluc_r: 1 + - smvacid_r: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Ugt301D1 or Ugt35A1 or Ugt35C1 or Ugt35D1 or Ugt35E1 or Ugt35E2 or Ugt49B1 or Ugt49B2 or Ugt49C1" + - eccodes: "2.4.1.17" + - references: "PMID: 11950779" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "SMVLAChep" + - name: "conversion of open acid form to lactone form of simvastatin" + - metabolites: !!omap + - m01334c: 1 + - m01371c: -1 + - m02759c: 1 + - smv_c: 1 + - smvacid_c: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 11950779" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "SMVtv" + - name: "uptake of simvastatin by enterocytes" + - metabolites: !!omap + - smv_c: 1 + - smv_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 16714062" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "SMVthep" + - name: "uptake of simvastatin by hepatocytes" + - metabolites: !!omap + - m02046c: -1 + - m02046s: 1 + - smv_c: 1 + - smv_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "Oatp33Ea or Oatp58Da or Oatp58Db or Oatp58Dc or Oatp74D" + - eccodes: "" + - references: "PMID: 21245207, PMID: 19785645, PMID: 21942630, Russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49, PMID: 21436344." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "STACMPhc" + - name: "sulphation of thiomethyl-acetaminophen conjugate in hepatocytes" + - metabolites: !!omap + - m02039c: 1 + - m02681c: 1 + - m02682c: -1 + - stacmp_c: 1 + - tmacmp_c: -1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "Graham, G. ; M. Hicks (2004). Pharmacokinetics ; Metabolism of Paracetamol (Acetaminophen). Aspirin ; Related Drugs, CRC Press., PMID: 1026559." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "STACMPtev" + - name: "efflux of sulphate-thiomethyl-acetaminophen conjugate into hepatic vein" + - metabolites: !!omap + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - stacmp_c: -1 + - stacmp_s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 1026559, PMID: 11215692, Graham, G. ; M. Hicks (2004). Pharmacokinetics ; Metabolism of Paracetamol (Acetaminophen). 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Aspirin ; Related Drugs, CRC Press." + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "TACRDtsc" + - name: "uptake of tacrolimus by enterocytes" + - metabolites: !!omap + - tacr_c: 1 + - tacr_s: -1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 12676880" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "TACRtu" + - name: "efflux of tacrolimus into intestinal lumen by P-gp" + - metabolites: !!omap + - m01285c: 1 + - m01371c: -1 + - m02039c: 1 + - m02040c: -1 + - m02751c: 1 + - tacr_c: -1 + - tacr_s: 1 + - lower_bound: 0 + - upper_bound: 1000 + - gene_reaction_rule: "Mdr50" + - eccodes: "" + - references: "russel, F. G. M. (2010). Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. Peter, Springer New York: 27-49, PMID: 12190331, PMID: 12676880" + - subsystem: + - "Drug metabolism" + - confidence_score: 0 + - !!omap + - id: "TAURIBUP_Sthv" + - name: "release of taurine conjugate of S-ibuprofen into hepatic vein" + - metabolites: !!omap + - tauribup_S_c: -1 + - tauribup_S_s: 1 + - lower_bound: -1000 + - upper_bound: 1000 + - gene_reaction_rule: "" + - eccodes: "" + - references: "PMID: 9515184, Graham, G. ; K. Williams (2004). Metabolism ; Pharmacokinetics of Ibuprofen. 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Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. 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Transporters: Importance in Drug Absorption, Distribution, ; Removal, Enzyme- ; Transporter-Based Drug-Drug Interactions. K. S. Pang, A. D. Rodrigues ; R. M. 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id: "UbcE2H" + - !!omap + - id: "UbcE2M" + - !!omap + - id: "Ube3a" + - !!omap + - id: "Ublcp1" + - !!omap + - id: "Ubr1" + - !!omap + - id: "Ubr3" + - !!omap + - id: "Uck" + - !!omap + - id: "Ucp4A" + - !!omap + - id: "Ufd4dx" + - !!omap + - id: "Ugalt" + - !!omap + - id: "Uggt" + - !!omap + - id: "Ugt301D1" + - !!omap + - id: "Ugt302C1" + - !!omap + - id: "Ugt302E1" + - !!omap + - id: "Ugt302K1" + - !!omap + - id: "Ugt35A1" + - !!omap + - id: "Ugt35B1" + - !!omap + - id: "Ugt35C1" + - !!omap + - id: "Ugt35D1" + - !!omap + - id: "Ugt35E1" + - !!omap + - id: "Ugt35E2" + - !!omap + - id: "Ugt49B1" + - !!omap + - id: "Ugt49B2" + - !!omap + - id: "Ugt49C1" + - !!omap + - id: "Ugt50B3" + - !!omap + - id: "Unc-89" + - !!omap + - id: "Uro" + - !!omap + - id: "Urod" + - !!omap + - id: "Uros1" + - !!omap + - id: "Usp1" + - !!omap + - id: "Usp10" + - !!omap + - id: "Usp12-46" + - !!omap + - id: "Usp14" + - !!omap + - id: "Usp15-31" + - !!omap + - id: "Usp16-45" + - !!omap + - id: "Usp2" + - !!omap + - id: "Usp20-33" + - !!omap + - id: "Usp30" + - !!omap + - id: "Usp32" + - !!omap + - id: "Usp47" + - !!omap + - id: "Usp5" + - !!omap + - id: "Usp7" + - !!omap + - id: "Usp8" + - !!omap + - id: "Uxs" + - !!omap + - id: "VAChT" + - !!omap + - id: "VGAT" + - !!omap + - id: "VGlut" + - !!omap + - id: "ValRS" + - !!omap + - id: "Vap33" + - !!omap + - id: "Vha100-1" + - !!omap + - id: "Vha13" + - !!omap + - id: "Vha14-1" + - !!omap + - id: "Vha16-1" + - !!omap + - id: "Vha16-3" + - !!omap + - id: "Vha26" + - !!omap + - id: "Vha36-1" + - !!omap + - id: "Vha36-3" + - !!omap + - id: "Vha44" + - !!omap + - id: "Vha55" + - !!omap + - id: "Vha68-2" + - !!omap + - id: "VhaAC39-1" + - !!omap + - id: "VhaAC39-2" + - !!omap + - id: "VhaAC45" + - !!omap + - id: "VhaM9.7-a" + - !!omap + - id: "VhaM9.7-c" + - !!omap + - id: "VhaPPA1-1" + - !!omap + - id: "VhaSFD" + - !!omap + - id: "Vkor" + - !!omap + - id: "Vmat" + - !!omap + - id: "Vps15" + - !!omap + - id: "Vps29" + - !!omap + - id: "Wee1" + - !!omap + - id: "Wnk" + - !!omap + - id: "Wsck" + - !!omap + - id: "Wwox" + - !!omap + - id: "Ykt6" + - !!omap + - id: "Zdhhc8" + - !!omap + - id: "Zip42C.1" + - !!omap + - id: "Zip71B" + - !!omap + - id: "Zip89B" + - !!omap + - id: "ZnT63C" + - !!omap + - id: "ZnT86D" + - !!omap + - id: "Zw" + - !!omap + - id: "aPKC" + - !!omap + - id: "aay" + - !!omap + - id: "aft" + - !!omap + - id: "agt" + - !!omap + - id: "alc" + - !!omap + - id: "alph" + - !!omap + - id: "amd" + - !!omap + - id: "antdh" + - !!omap + - id: "apolpp" + - !!omap + - id: "app" + - !!omap + - id: "aralar1" + - !!omap + - id: "arg" + - !!omap + - id: "ash1" + - !!omap + - id: "aurA" + - !!omap + - id: "aux" + - !!omap + - id: "awd" + - !!omap + - id: "b" + - !!omap + - id: "babo" + - !!omap + - id: "ball" + - !!omap + - id: "bbc" + - !!omap + - id: "beg" + - !!omap + - id: "ben" + - !!omap + - id: "bgm" + - !!omap + - id: "blw" + - !!omap + - id: "bmm" + - !!omap + - id: "bon" + - !!omap + - id: "botv" + - !!omap + - id: "brn" + - !!omap + - id: "bsk" + - !!omap + - id: "bt" + - !!omap + - id: "btl" + - !!omap + - id: "bur" + - !!omap + - id: "bwa" + - !!omap + - id: "by" + - !!omap + - id: "cN-IIIB" + - !!omap + - id: "cathD" + - !!omap + - id: "cd" + - !!omap + - id: "cdc14" + - !!omap + - id: "cdi" + - !!omap + - id: "cert" + - !!omap + - id: "chk" + - !!omap + - id: "chm" + - !!omap + - id: "cin" + - !!omap + - id: "clt" + - !!omap + - id: "cn" + - !!omap + - id: "colt" + - !!omap + - id: "crq" + - !!omap + - id: "csul" + - !!omap + - id: "csw" + - !!omap + - id: "ctrip" + - !!omap + - id: "cv-c" + - !!omap + - id: "cyp33" + - !!omap + - id: "cype" + - !!omap + - id: "dUTPase" + - !!omap + - id: "dare" + - !!omap + - id: "dco" + - !!omap + - id: "dib" + - !!omap + - id: "dib[m]" + - !!omap + - id: "didum" + - !!omap + - id: "dnc" + - !!omap + - id: "dnk" + - !!omap + - id: "dnr1" + - !!omap + - id: "dnt" + - !!omap + - id: "dod" + - !!omap + - id: "dop" + - !!omap + - id: "drl" + - !!omap + - id: "eEF1α1" + - !!omap + - id: "eEF2" + - !!omap + - id: "eIF2γ" + - !!omap + - id: "ea" + - !!omap + - id: "eas" + - !!omap + - id: "ebi" + - !!omap + - id: "ebo" + - !!omap + - id: "eco" + - !!omap + - id: "eff" + - !!omap + - id: "egg" + - !!omap + - id: "elgi" + - !!omap + - id: "emp" + - !!omap + - id: "enok" + - !!omap + - id: "ewg" + - !!omap + - id: "ey1" + - !!omap + - id: "eya" + - !!omap + - id: "fab1" + - !!omap + - id: "fabp" + - !!omap + - id: "faf" + - !!omap + - id: "fbl" + - !!omap + - id: "fbp" + - !!omap + - id: "fdl" + - !!omap + - id: "fh" + - !!omap + - id: "fid" + - !!omap + - id: "flw" + - !!omap + - id: "foi" + - !!omap + - id: "for" + - !!omap + - id: "fray" + - !!omap + - id: "frc" + - !!omap + - id: "frj" + - !!omap + - id: "fu" + - !!omap + - id: "fwd" + - !!omap + - id: "gas" + - !!omap + - id: "gb" + - !!omap + - id: "gek" + - !!omap + - id: "gish" + - !!omap + - id: "gny" + - !!omap + - id: "gol" + - !!omap + - id: "gpp" + - !!omap + - id: "gppz" + - !!omap + - id: "grh" + - !!omap + - id: "grp" + - !!omap + - id: "gw" + - !!omap + - id: "gwl" + - !!omap + - id: "gzl" + - !!omap + - id: "heix" + - !!omap + - id: "hep" + - !!omap + - id: "hgo" + - !!omap + - id: "hiw" + - !!omap + - id: "hoe1" + - !!omap + - id: "hop" + - !!omap + - id: "hpo" + - !!omap + - id: "hppy" + - !!omap + - id: "hrg" + - !!omap + - id: "hrm" + - !!omap + - id: "htk" + - !!omap + - id: "htl" + - !!omap + - id: "hyd" + - !!omap + - id: "hzg" + - !!omap + - id: "iPLA2-VIA" + - !!omap + - id: "ifc" + - !!omap + - id: "inaE" + - !!omap + - id: "isoQC" + - !!omap + - id: "janA" + - !!omap + - id: "jhamt" + - !!omap + - id: "kar" + - !!omap + - id: "kay" + - !!omap + - id: "kcc" + - !!omap + - id: "kdn" + - !!omap + - id: "kis" + - !!omap + - id: "kkv" + - !!omap + - id: "kri" + - !!omap + - id: "l" + - !!omap + - id: "l1G0020" + - !!omap + - id: "l1G0196" + - !!omap + - id: "l2k01209" + - !!omap + - id: "l302640" + - !!omap + - id: "l372Dp" + - !!omap + - id: "lace" + - !!omap + - id: "levy" + - !!omap + - id: "lic" + - !!omap + - id: "lmgA" + - !!omap + - id: "lok" + - !!omap + - id: "lwr" + - !!omap + - id: "mAcon1" + - !!omap + - id: "mEFG1" + - !!omap + - id: "mEFTu1" + - !!omap + - id: "mRNA-cap" + - !!omap + - id: "mRRF2" + - !!omap + - id: "mah" + - !!omap + - id: "mbo" + - !!omap + - id: "mbt" + - !!omap + - id: "mdy" + - !!omap + - id: "mei-41" + - !!omap + - id: "meng" + - !!omap + - id: "metl210685" + - !!omap + - id: "mfrn" + - !!omap + - id: "mgl" + - !!omap + - id: "mib1" + - !!omap + - id: "mib2" + - !!omap + - id: "mino" + - !!omap + - id: "mkg-p237Cg" + - !!omap + - id: "mmy" + - !!omap + - id: "mnb" + - !!omap + - id: "mnd" + - !!omap + - id: "mof" + - !!omap + - id: "mop" + - !!omap + - id: "msn" + - !!omap + - id: "mt:ATPase6" + - !!omap + - id: "mt:CoI" + - !!omap + - id: "mt:CoII" + - !!omap + - id: "mt:CoIII" + - !!omap + - id: "mt:Cyt-b" + - !!omap + - id: "mt:ND1" + - !!omap + - id: "mt:ND2" + - !!omap + - id: "mt:ND3" + - !!omap + - id: "mt:ND4" + - !!omap + - id: "mt:ND4L" + - !!omap + - id: "mt:ND5" + - !!omap + - id: "mt:ND6" + - !!omap + - id: "mtRNApol" + - !!omap + - id: "mtTFB1" + - !!omap + - id: "mtTFB2" + - !!omap + - id: "mtm" + - !!omap + - id: "mts" + - !!omap + - id: "muc" + - !!omap + - id: "mus304" + - !!omap + - id: "nSMase" + - !!omap + - id: "nac" + - !!omap + - id: "nej" + - !!omap + - id: "nes" + - !!omap + - id: "neur" + - !!omap + - id: "niki" + - !!omap + - id: "ninaB" + - !!omap + - id: "ninaC" + - !!omap + - id: "nmdyn-D6" + - !!omap + - id: "nmdyn-D7" + - !!omap + - id: "nmo" + - !!omap + - id: "nonC" + - !!omap + - id: "norpA" + - !!omap + - id: "not" + - !!omap + - id: "nrv1" + - !!omap + - id: "nrv2" + - !!omap + - id: "nrv3" + - !!omap + - id: "nst" + - !!omap + - id: "nvd" + - !!omap + - id: "otk" + - !!omap + - id: "otu" + - !!omap + - id: "ox" + - !!omap + - id: "oxt" + - !!omap + - id: "oys" + - !!omap + - id: "p23" + - !!omap + - id: "p38a" + - !!omap + - id: "p38b" + - !!omap + - id: "p38c" + - !!omap + - id: "par-1" + - !!omap + - id: "park" + - !!omap + - id: "pes" + - !!omap + - id: "phm" + - !!omap + - id: "phu" + - !!omap + - id: "pip" + - !!omap + - id: "ple" + - !!omap + - id: "pll" + - !!omap + - id: "pn" + - !!omap + - id: "poe" + - !!omap + - id: "polo" + - !!omap + - id: "por" + - !!omap + - id: "ppl" + - !!omap + - id: "pr" + - !!omap + - id: "primo-1" + - !!omap + - id: "primo-2" + - !!omap + - id: "puc" + - !!omap + - id: "puf" + - !!omap + - id: "pug" + - !!omap + - id: "puml" + - !!omap + - id: "put" + - !!omap + - id: "pyd3" + - !!omap + - id: "qless" + - !!omap + - id: "qm" + - !!omap + - id: "r" + - !!omap + - id: "r-l" + - !!omap + - id: "ras" + - !!omap + - id: "rasp" + - !!omap + - id: "rdgA" + - !!omap + - id: "rdgC" + - !!omap + - id: "regucalcin" + - !!omap + - id: "rl" + - !!omap + - id: "rswl" + - !!omap + - id: "rt" + - !!omap + - id: "rumi" + - !!omap + - id: "rut" + - !!omap + - id: "ry" + - !!omap + - id: "sad" + - !!omap + - id: "san" + - !!omap + - id: "sax" + - !!omap + - id: "sbm" + - !!omap + - id: "schlank" + - !!omap + - id: "scny" + - !!omap + - id: "scu" + - !!omap + - id: "se" + - !!omap + - id: "sea" + - !!omap + - id: "sesB" + - !!omap + - id: "sev" + - !!omap + - id: "sff" + - !!omap + - id: "sfl" + - !!omap + - id: "sgl" + - !!omap + - id: "sgll" + - !!omap + - id: "shd" + - !!omap + - id: "shi" + - !!omap + - id: "shop" + - !!omap + - id: "shps" + - !!omap + - id: "shrb" + - !!omap + - id: "shu" + - !!omap + - id: "sif" + - !!omap + - id: "sima" + - !!omap + - id: "sina" + - !!omap + - id: "sip3" + - !!omap + - id: "sl" + - !!omap + - id: "slgA" + - !!omap + - id: "slif" + - !!omap + - id: "sll" + - !!omap + - id: "slow" + - !!omap + - id: "slpr" + - !!omap + - id: "smp-30" + - !!omap + - id: "snama" + - !!omap + - id: "sotv" + - !!omap + - id: "spidey" + - !!omap + - id: "spo" + - !!omap + - id: "spok" + - !!omap + - id: "sqa" + - !!omap + - id: "sro" + - !!omap + - id: "ssh" + - !!omap + - id: "stan" + - !!omap + - id: "ste14" + - !!omap + - id: "ste24a" + - !!omap + - id: "stg" + - !!omap + - id: "sti" + - !!omap + - id: "stw" + - !!omap + - id: "superdeath" + - !!omap + - id: "sur" + - !!omap + - id: "sut1" + - !!omap + - id: "sut2" + - !!omap + - id: "sut3" + - !!omap + - id: "sws" + - !!omap + - id: "sxc" + - !!omap + - id: "tai" + - !!omap + - id: "tam" + - !!omap + - id: "tefu" + - !!omap + - id: "tkv" + - !!omap + - id: "tok" + - !!omap + - id: "tor" + - !!omap + - id: "tpr" + - !!omap + - id: "trbl" + - !!omap + - id: "trc" + - !!omap + - id: "trio" + - !!omap + - id: "trol" + - !!omap + - id: "trr" + - !!omap + - id: "trx" + - !!omap + - id: "ttv" + - !!omap + - id: "tun" + - !!omap + - id: "tw" + - !!omap + - id: "twe" + - !!omap + - id: "twr" + - !!omap + - id: "tws" + - !!omap + - id: "tzn" + - !!omap + - id: "upSET" + - !!omap + - id: "usp" + - !!omap + - id: "v" + - !!omap + - id: "vanin-like" + - !!omap + - id: "veil" + - !!omap + - id: "vihdx" + - !!omap + - id: "vnc" + - !!omap + - id: "w" + - !!omap + - id: "wal" + - !!omap + - id: "whd" + - !!omap + - id: "wisp" + - !!omap + - id: "wit" + - !!omap + - id: "wnd" + - !!omap + - id: "wol" + - !!omap + - id: "wts" + - !!omap + - id: "wun" + - !!omap + - id: "wun2" + - !!omap + - id: "xit" + - !!omap + - id: "yin" + - !!omap + - id: "yip2" + - !!omap + - id: "zda" + - !!omap + - id: "zuc" + - !!omap + - id: "zyd" + - !!omap + - id: "α-Est1" + - !!omap + - id: "α-Est10" + - !!omap + - id: "α-Est2" + - !!omap + - id: "α-Est3" + - !!omap + - id: "α-Est4" + - !!omap + - id: "α-Est5" + - !!omap + - id: "α-Est6" + - !!omap + - id: "α-Est7" + - !!omap + - id: "α-Est9" + - !!omap + - id: "α-Man-IIa" + - !!omap + - id: "α-Man-Ia" + - !!omap + - id: "α-Man-Ib" + - !!omap + - id: "α-PheRS" + - !!omap + - id: "α4GT1" + - !!omap + - id: "α4GT2" + - !!omap + - id: "αCOP" + - !!omap + - id: "αTry" + - !!omap + - id: "β'COP" + - !!omap + - id: "β-Man" + - !!omap + - id: "β-PheRS" + - !!omap + - id: "β3GalTII" + - !!omap + - id: "β4GalNAcTA" + - !!omap + - id: "β4GalT7" + - !!omap + - id: "βCOP" + - !!omap + - id: "βTry" + - !!omap + - id: "γCOP" + - !!omap + - id: "δCOP" + - !!omap + - id: "εCOP" +- compartments: !!omap + - s: "Extracellular" + - p: "Peroxisome" + - m: "Mitochondria" + - c: "Cytosol" + - l: "Lysosome" + - r: "Endoplasmic reticulum" + - g: "Golgi apparatus" + - n: "Nucleus" + - i: "Inner mitochondria" diff --git a/model/dependencies.txt b/model/dependencies.txt new file mode 100644 index 0000000..e59ef1c --- /dev/null +++ b/model/dependencies.txt @@ -0,0 +1,5 @@ +MATLAB 9.8.0.1323502 (R2020a) +libSBML 5.17.0 +RAVEN_toolbox 2.4.2 +COBRA_toolbox commit c317723 +Human-GEM 1.5.0 diff --git a/version.txt b/version.txt index 77d6f4c..3eefcb9 100644 --- a/version.txt +++ b/version.txt @@ -1 +1 @@ -0.0.0 +1.0.0