diff --git a/data/fruitflySpecificMets.tsv b/data/fruitflySpecificMets.tsv index 1988234..3e83563 100644 --- a/data/fruitflySpecificMets.tsv +++ b/data/fruitflySpecificMets.tsv @@ -1,38 +1,38 @@ -mets metNames metFormulas metCharges compartments metKEGGID metPubChemID metChEBIID metMetaCycID metMetaNetXID -"MAM20003c" "L-Allothreonine" "C4H9NO3" 0 "c" "C05519" "99289" "CHEBI:28718" "L-ALLO-THREONINE" "MNXM2125" -"MAM01104p" "5-hydroxyisourate" "C5H4N4O4" 0 "p" "C11821" "250388" "CHEBI:250388" "5-HYDROXYISOURATE" "MNXM1137" -"MAM10018p" "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate" "C5H5N4O5" -1 "p" "C12248" "443736" "CHEBI:58639" "CPD-5821" "MNXM1805" -"MAM10018c" "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate" "C5H5N4O5" -1 "c" "C12248" "443736" "CHEBI:58639" "CPD-5821" "MNXM1805" -"MAM20005p" "1,3,7-Trimethyluric acid" "C8H10N4O3" 0 "p" "C16361" "47205669" "CHEBI:691622" "CPD-12480" "MNXM2761" -"MAM20006p" "3,6,8-Trimethylallantoin" "C7H12N4O3" 0 "p" "C16362" "47205670" "CHEBI:80471" "CPD-12485" "MNXM6778" -"MAM20010c" "pseudouridine" "C9H12N2O6" 0 "c" "C02067" "15047" "CHEBI:17802" "CPD-497" "MNXM1094063;MNXM4794" -"MAM02807c" "pseudouridine-5-phosphate" "C9H11N2O9P" -2 "c" "C01168" "25245232" "CHEBI:18116" "PSEUDOURIDINE-5-P" "MNXM2276" -"MAM20027c" "L-arginine-phosphate" "C6H14N4O5P" -1 "c" "C05945" "92150" "CHEBI:58477" "L-ARGININE-P" "MNXM3663" -"MAM20028r" "2-2-N-linked-Glycan" "C54H88N6O37" 0 "r" "" "25200901" "CHEBI:60651" "2-2-N-linked-Glycan" "MNXM146421" -"MAM20029r" "N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F" "C60H98N6O41" 0 "r" "" "25203205" "CHEBI:137182" "N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F" "MNXM148917" -"MAM01948r" "GDP" "C10H12N5O11P2" -3 "r" "C00035" "" "CHEBI:17552" "" "MNXM30" -"MAM01950r" "GDP-L-fucose" "C16H23N5O15P2" -2 "r" "C00325" "" "CHEBI:17009" "" "MNXM193" -"MAM20030c" "ecdysone" "C27H44O6" 0 "c" "C00477" "19212" "CHEBI:16688" "ECDYSONE" "MNXM727021;MNXM727022" -"MAM20031c" "3-dehydroecdysone" "C27H42O6" 0 "c" "C02513" "5460083" "CHEBI:17058" "CPD-331" "MNXM819815;MNXM2610" -"MAM20032c" "20-hydroxyecdysone" "C27H44O7" 0 "c" "C02633" "5459840" "CHEBI:16587" "CPD-276" "MNXM733384" -"MAM20033c" "2,22,25-trideoxyecdysone" "C27H44O3" 0 "c" "C16493" "15942885" "CHEBI:19290" "CPD-15499" "MNXM6663" -"MAM20034c" "2,22-dideoxyecdysone" "C27H44O4" 0 "c" "C16494" "14017685" "CHEBI:80530" "CPD-15498" "MNXM6852" -"MAM20035c" "2,22-dideoxyecdysone" "C27H44O4" 0 "c" "C16494" "14017685" "CHEBI:80530" "CPD-15498" "MNXM6852" -"MAM20036c" "2-deoxyecdysone" "C27H44O5" 0 "c" "C16495" "13939876" "CHEBI:19566" "CPD-15497" "MNXM739340;MNXM739339" -"MAM20037c" "3-dehydro-2,22,25-deoxyecdysone" "C27H42O3" 0 "c" "C16509" "15081546" "CHEBI:80541" "" "MNXM5425" -"MAM20038c" "3-dehydro-2,22-dideoxyecdysone" "C27H42O4" 0 "c" "C16498" "23724770" "CHEBI:80533" "" "MNXM6664" -"MAM20039c" "3-dehydro-2-deoxyecdysone" "C27H42O5" 0 "c" "C16497" "15251159" "CHEBI:80532" "CPD-15506" "MNXM6790" -"MAM20040c" "3-dehydroecdysone" "C27H42O6" 0 "c" "C02513" "5460083" "CHEBI:17058" "CPD-331" "MNXM819815;MNXM2610" -"MAM20041c" "20,26-dihydroxyecdysone" "C27H44O8" 0 "c" "C16500" "21123946" "CHEBI:19793" "CPD-15601" "MNXM741791;MNXM741792" -"MAM20042c" "trans-trans-farnesyl-phosphate" "C15H25O4P" -2 "c" "C20121" "46926298" "CHEBI:88226" "CPD-12587" "MNXM4974" -"MAM20043c" "2-trans-S-6-trans-farnesol" "C15H26O" 0 "c" "C01126" "445070" "CHEBI:16619" "2-TRANS6-TRANS-FARNESOL" "MNXM727075" -"MAM20044c" "2-trans-6-trans-farnesal" "C15H24O" 0 "c" "C03461" "5280598" "CHEBI:15894" "2-TRANS6-TRANS-FARNESAL" "MNXM1959" -"MAM20045c" "alpha-D-glucose 6-phosphate" "C6H11O9P" -2 "c" "C00668" "439284" "CHEBI:17665" "ALPHA-GLC-6-P" "MNXM729990" -"MAM20046c" "alpha-alpha-trehalose-6-phosphate" "C12H21O14P" -2 "c" "C00689" "122336" "CHEBI:18283" "TREHALOSE-6P" "MNXM448" -"MAM20047c" "secologanin" "C17H24O10" 0 "c" "C01852" "161276" "CHEBI:18002" "SECOLOGANIN-CPD" "MNXM823" -"MAM20048c" "3-alphaS-strictosidine" "C27H35N2O9" 1 "c" "C03470" "44123291" "CHEBI:17559" "STRICTOSIDINE" "MNXM728173" -"MAM20049c" "pyrimidodiazepine" "C9H11N5O2" 0 "c" "C02587" "135887869" "CHEBI:27114" "A-PYRIMIDODIAZEPINE" "MNXM732507" -"MAM20050c" "Juvenile hormone III" "C16H26O3" 0 "c" "C09694" "5281523" "CHEBI:27493" "CPD-8838" "MNXM2685" -"MAM20051c" "Juvenile hormone III acid" "C15H23O3" -1 "c" "C16504" "23724771" "CHEBI:83274" "CPD-12750" "MNXM3627" -"MAM20052c" "farnesoic acid" "C15H24O2" 0 "c" "C16502" "21895630" "CHEBI:83276" "CPD-12585" "MNXM735428" -"MAM20053c" "methyl farnesoate" "C16H26O2" 0 "c" "C16503" "5275508" "CHEBI:80535" "CPD-12586" "MNXM5369" +mets metNames metFormulas metCharges compartments metKEGGID metPubChemID metChEBIID metMetaCycID metMetaNetXID metsNoComp +"MAM20003c" "L-Allothreonine" "C4H9NO3" 0 "c" "C05519" "99289" "CHEBI:28718" "L-ALLO-THREONINE" "MNXM2125" "MAM20003" +"MAM01104p" "5-hydroxyisourate" "C5H4N4O4" 0 "p" "C11821" "250388" "CHEBI:250388" "5-HYDROXYISOURATE" "MNXM1137" "MAM01104" +"MAM10018p" "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate" "C5H5N4O5" -1 "p" "C12248" "443736" "CHEBI:58639" "CPD-5821" "MNXM1805" "MAM10018" +"MAM10018c" "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate" "C5H5N4O5" -1 "c" "C12248" "443736" "CHEBI:58639" "CPD-5821" "MNXM1805" "MAM10018" +"MAM20005p" "1,3,7-Trimethyluric acid" "C8H10N4O3" 0 "p" "C16361" "47205669" "CHEBI:691622" "CPD-12480" "MNXM2761" "MAM20005" +"MAM20006p" "3,6,8-Trimethylallantoin" "C7H12N4O3" 0 "p" "C16362" "47205670" "CHEBI:80471" "CPD-12485" "MNXM6778" "MAM20006" +"MAM20010c" "pseudouridine" "C9H12N2O6" 0 "c" "C02067" "15047" "CHEBI:17802" "CPD-497" "MNXM1094063;MNXM4794" "MAM20010" +"MAM02807c" "pseudouridine-5-phosphate" "C9H11N2O9P" -2 "c" "C01168" "25245232" "CHEBI:18116" "PSEUDOURIDINE-5-P" "MNXM2276" "MAM02807" +"MAM20027c" "L-arginine-phosphate" "C6H14N4O5P" -1 "c" "C05945" "92150" "CHEBI:58477" "L-ARGININE-P" "MNXM3663" "MAM20027" +"MAM20028r" "2-2-N-linked-Glycan" "C54H88N6O37" 0 "r" "" "25200901" "CHEBI:60651" "2-2-N-linked-Glycan" "MNXM146421" "MAM20028" +"MAM20029r" "N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F" "C60H98N6O41" 0 "r" "" "25203205" "CHEBI:137182" "N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F" "MNXM148917" "MAM20029" +"MAM01948r" "GDP" "C10H12N5O11P2" -3 "r" "C00035" "" "CHEBI:17552" "" "MNXM30" "MAM01948" +"MAM01950r" "GDP-L-fucose" "C16H23N5O15P2" -2 "r" "C00325" "" "CHEBI:17009" "" "MNXM193" "MAM01950" +"MAM20030c" "ecdysone" "C27H44O6" 0 "c" "C00477" "19212" "CHEBI:16688" "ECDYSONE" "MNXM727021;MNXM727022" "MAM20030" +"MAM20031c" "3-dehydroecdysone" "C27H42O6" 0 "c" "C02513" "5460083" "CHEBI:17058" "CPD-331" "MNXM819815;MNXM2610" "MAM20031" +"MAM20032c" "20-hydroxyecdysone" "C27H44O7" 0 "c" "C02633" "5459840" "CHEBI:16587" "CPD-276" "MNXM733384" "MAM20032" +"MAM20033c" "2,22,25-trideoxyecdysone" "C27H44O3" 0 "c" "C16493" "15942885" "CHEBI:19290" "CPD-15499" "MNXM6663" "MAM20033" +"MAM20034c" "2,22-dideoxyecdysone" "C27H44O4" 0 "c" "C16494" "14017685" "CHEBI:80530" "CPD-15498" "MNXM6852" "MAM20034" +"MAM20035c" "2,22-dideoxyecdysone" "C27H44O4" 0 "c" "C16494" "14017685" "CHEBI:80530" "CPD-15498" "MNXM6852" "MAM20035" +"MAM20036c" "2-deoxyecdysone" "C27H44O5" 0 "c" "C16495" "13939876" "CHEBI:19566" "CPD-15497" "MNXM739340;MNXM739339" "MAM20036" +"MAM20037c" "3-dehydro-2,22,25-deoxyecdysone" "C27H42O3" 0 "c" "C16509" "15081546" "CHEBI:80541" "" "MNXM5425" "MAM20037" +"MAM20038c" "3-dehydro-2,22-dideoxyecdysone" "C27H42O4" 0 "c" "C16498" "23724770" "CHEBI:80533" "" "MNXM6664" "MAM20038" +"MAM20039c" "3-dehydro-2-deoxyecdysone" "C27H42O5" 0 "c" "C16497" "15251159" "CHEBI:80532" "CPD-15506" "MNXM6790" "MAM20039" +"MAM20040c" "3-dehydroecdysone" "C27H42O6" 0 "c" "C02513" "5460083" "CHEBI:17058" "CPD-331" "MNXM819815;MNXM2610" "MAM20040" +"MAM20041c" "20,26-dihydroxyecdysone" "C27H44O8" 0 "c" "C16500" "21123946" "CHEBI:19793" "CPD-15601" "MNXM741791;MNXM741792" "MAM20041" +"MAM20042c" "trans-trans-farnesyl-phosphate" "C15H25O4P" -2 "c" "C20121" "46926298" "CHEBI:88226" "CPD-12587" "MNXM4974" "MAM20042" +"MAM20043c" "2-trans-S-6-trans-farnesol" "C15H26O" 0 "c" "C01126" "445070" "CHEBI:16619" "2-TRANS6-TRANS-FARNESOL" "MNXM727075" "MAM20043" +"MAM20044c" "2-trans-6-trans-farnesal" "C15H24O" 0 "c" "C03461" "5280598" "CHEBI:15894" "2-TRANS6-TRANS-FARNESAL" "MNXM1959" "MAM20044" +"MAM20045c" "alpha-D-glucose 6-phosphate" "C6H11O9P" -2 "c" "C00668" "439284" "CHEBI:17665" "ALPHA-GLC-6-P" "MNXM729990" "MAM20045" +"MAM20046c" "alpha-alpha-trehalose-6-phosphate" "C12H21O14P" -2 "c" "C00689" "122336" "CHEBI:18283" "TREHALOSE-6P" "MNXM448" "MAM20046" +"MAM20047c" "secologanin" "C17H24O10" 0 "c" "C01852" "161276" "CHEBI:18002" "SECOLOGANIN-CPD" "MNXM823" "MAM20047" +"MAM20048c" "3-alphaS-strictosidine" "C27H35N2O9" 1 "c" "C03470" "44123291" "CHEBI:17559" "STRICTOSIDINE" "MNXM728173" "MAM20048" +"MAM20049c" "pyrimidodiazepine" "C9H11N5O2" 0 "c" "C02587" "135887869" "CHEBI:27114" "A-PYRIMIDODIAZEPINE" "MNXM732507" "MAM20049" +"MAM20050c" "Juvenile hormone III" "C16H26O3" 0 "c" "C09694" "5281523" "CHEBI:27493" "CPD-8838" "MNXM2685" "MAM20050" +"MAM20051c" "Juvenile hormone III acid" "C15H23O3" -1 "c" "C16504" "23724771" "CHEBI:83274" "CPD-12750" "MNXM3627" "MAM20051" +"MAM20052c" "farnesoic acid" "C15H24O2" 0 "c" "C16502" "21895630" "CHEBI:83276" "CPD-12585" "MNXM735428" "MAM20052" +"MAM20053c" "methyl farnesoate" "C16H26O2" 0 "c" "C16503" "5275508" "CHEBI:80535" "CPD-12586" "MNXM5369" "MAM20053"