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Merge pull request #250 from SysBioChalmers/devel
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yeast 8.4.2
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BenjaSanchez authored Sep 23, 2020
2 parents 72c4d3b + 6094f32 commit 9dc2c00
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4 changes: 4 additions & 0 deletions ComplementaryData/databases/FAEgeneNames.tsv
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Systematic_name Standard_name
YPL095C EEB1
YBR177C EHT1
YGR015C EAT1
187 changes: 187 additions & 0 deletions ComplementaryData/modelCuration/FAEnewRxnMatrix.tsv
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rxnID coefficient metabolite standard name Metabolite_type component
r_4629 1 hexanoyl-CoA reactant mitochondrion
r_4629 1 ethanol reactant mitochondrion
r_4629 1 ethyl hexanoate product mitochondrion
r_4629 1 coenzyme A product mitochondrion
r_4630 1 octanoyl-CoA reactant mitochondrion
r_4630 1 ethanol reactant mitochondrion
r_4630 1 ethyl octanoate product mitochondrion
r_4630 1 coenzyme A product mitochondrion
r_4631 1 butanoyl-CoA reactant mitochondrion
r_4631 1 ethanol reactant mitochondrion
r_4631 1 ethyl butanoate product mitochondrion
r_4631 1 coenzyme A product mitochondrion
r_4632 1 acetyl-CoA reactant mitochondrion
r_4632 1 hexanol reactant mitochondrion
r_4632 1 hexyl acetate product mitochondrion
r_4632 1 coenzyme A product mitochondrion
r_4633 1 decanoyl-CoA reactant mitochondrion
r_4633 1 ethanol reactant mitochondrion
r_4633 1 ethyl decanoate product mitochondrion
r_4633 1 coenzyme A product mitochondrion
r_4634 1 ethyl hexanoate reactant mitochondrion
r_4634 1 ethyl hexanoate product cytoplasm
r_4635 1 ethyl octanoate reactant mitochondrion
r_4635 1 ethyl octanoate product cytoplasm
r_4636 1 ethyl butanoate reactant mitochondrion
r_4636 1 ethyl butanoate product cytoplasm
r_4637 1 hexyl acetate reactant mitochondrion
r_4637 1 hexyl acetate product cytoplasm
r_4638 1 ethyl decanoate reactant mitochondrion
r_4638 1 ethyl decanoate product cytoplasm
r_4639 1 ethyl hexanoate reactant cytoplasm
r_4639 1 ethyl hexanoate product extracellular
r_4640 1 ethyl octanoate reactant cytoplasm
r_4640 1 ethyl octanoate product extracellular
r_4641 1 ethyl butanoate reactant cytoplasm
r_4641 1 ethyl butanoate product extracellular
r_4642 1 hexyl acetate reactant cytoplasm
r_4642 1 hexyl acetate product extracellular
r_4643 1 ethyl decanoate reactant cytoplasm
r_4643 1 ethyl decanoate product extracellular
r_4644 1 ethyl hexanoate reactant extracellular
r_4645 1 ethyl octanoate reactant extracellular
r_4646 1 ethyl butanoate reactant extracellular
r_4647 1 hexyl acetate reactant extracellular
r_4648 1 ethyl decanoate reactant extracellular
r_4649 1 ethanol reactant mitochondrion
r_4649 1 acetyl-CoA reactant mitochondrion
r_4649 1 ethyl acetate product mitochondrion
r_4649 1 coenzyme A product mitochondrion
r_4650 1 ethyl acetate reactant mitochondrion
r_4650 1 ethyl acetate product cytoplasm
r_4651 1 H+ reactant cytoplasm
r_4651 1 2-oxobutanoate reactant cytoplasm
r_4651 1 carbon dioxide product cytoplasm
r_4651 1 propanal product cytoplasm
r_4652 1 propanal reactant cytoplasm
r_4652 1 H+ reactant cytoplasm
r_4652 1 NADH reactant cytoplasm
r_4652 1 propanol product cytoplasm
r_4652 1 NAD product cytoplasm
r_4653 1 propanal reactant mitochondrion
r_4653 1 H+ reactant mitochondrion
r_4653 1 NADH reactant mitochondrion
r_4653 1 propanol product mitochondrion
r_4653 1 NAD product mitochondrion
r_4654 1 propanal reactant cytoplasm
r_4654 1 H+ reactant cytoplasm
r_4654 1 NADPH reactant cytoplasm
r_4654 1 propanol product cytoplasm
r_4654 1 NADP(+) product cytoplasm
r_4655 1 propanol reactant mitochondrion
r_4655 1 propanol product cytoplasm
r_4656 1 propanal reactant cytoplasm
r_4656 1 propanal product extracellular
r_4657 1 propanol reactant cytoplasm
r_4657 1 propanol product extracellular
r_4658 1 propanal reactant extracellular
r_4659 1 propanol reactant extracellular
r_4660 1 H+ reactant cytoplasm
r_4660 1 4-methylthio-2-oxobutanoate reactant cytoplasm
r_4660 1 carbon dioxide product cytoplasm
r_4660 1 methional product cytoplasm
r_4661 1 methional reactant cytoplasm
r_4661 1 H+ reactant cytoplasm
r_4661 1 NADH reactant cytoplasm
r_4661 1 methionol product cytoplasm
r_4661 1 NAD product cytoplasm
r_4662 1 methional reactant mitochondrion
r_4662 1 H+ reactant mitochondrion
r_4662 1 NADH reactant mitochondrion
r_4662 1 methionol product mitochondrion
r_4662 1 NAD product mitochondrion
r_4663 1 methional reactant cytoplasm
r_4663 1 H+ reactant cytoplasm
r_4663 1 NADPH reactant cytoplasm
r_4663 1 methionol product cytoplasm
r_4663 1 NADP(+) product cytoplasm
r_4664 1 methionol reactant mitochondrion
r_4664 1 methionol product cytoplasm
r_4665 1 methional reactant cytoplasm
r_4665 1 methional product extracellular
r_4666 1 methionol reactant cytoplasm
r_4666 1 methionol product extracellular
r_4667 1 methional reactant extracellular
r_4668 1 methionol reactant extracellular
r_4669 1 H+ reactant cytoplasm
r_4669 1 3-(4-hydroxyphenyl)pyruvate reactant cytoplasm
r_4669 1 carbon dioxide product cytoplasm
r_4669 1 (4-hydroxyphenyl)acetaldehyde product cytoplasm
r_4670 1 (4-hydroxyphenyl)acetaldehyde reactant cytoplasm
r_4670 1 H+ reactant cytoplasm
r_4670 1 NADH reactant cytoplasm
r_4670 1 tyrosol product cytoplasm
r_4670 1 NAD product cytoplasm
r_4671 1 (4-hydroxyphenyl)acetaldehyde reactant mitochondrion
r_4671 1 H+ reactant mitochondrion
r_4671 1 NADH reactant mitochondrion
r_4671 1 tyrosol product mitochondrion
r_4671 1 NAD product mitochondrion
r_4672 1 (4-hydroxyphenyl)acetaldehyde reactant cytoplasm
r_4672 1 H+ reactant cytoplasm
r_4672 1 NADPH reactant cytoplasm
r_4672 1 tyrosol product cytoplasm
r_4672 1 NADP(+) product cytoplasm
r_4673 1 tyrosol reactant mitochondrion
r_4673 1 tyrosol product cytoplasm
r_4674 1 (4-hydroxyphenyl)acetaldehyde reactant cytoplasm
r_4674 1 (4-hydroxyphenyl)acetaldehyde product extracellular
r_4675 1 tyrosol reactant cytoplasm
r_4675 1 tyrosol product extracellular
r_4676 1 (4-hydroxyphenyl)acetaldehyde reactant extracellular
r_4677 1 tyrosol reactant extracellular
r_4678 1 propanal reactant cytoplasm
r_4678 1 NAD reactant cytoplasm
r_4678 1 H2O reactant cytoplasm
r_4678 1 propionate product cytoplasm
r_4678 1 H+ product cytoplasm
r_4678 1 NADH product cytoplasm
r_4679 1 ATP reactant peroxisome
r_4679 1 coenzyme A reactant peroxisome
r_4679 1 propionate reactant peroxisome
r_4679 1 AMP product peroxisome
r_4679 1 propionyl-CoA product peroxisome
r_4679 1 diphosphate product peroxisome
r_4680 1 propionyl-CoA reactant mitochondrion
r_4680 1 ethanol reactant mitochondrion
r_4680 1 ethyl propionate product mitochondrion
r_4680 1 coenzyme A product mitochondrion
r_4681 1 propionyl-CoA reactant peroxisome
r_4681 1 propionyl-CoA product mitochondrion
r_4682 1 butanoyl-CoA reactant peroxisome
r_4682 1 butanoyl-CoA product mitochondrion
r_4683 1 hexanoyl-CoA reactant peroxisome
r_4683 1 hexanoyl-CoA product mitochondrion
r_4684 1 octanoyl-CoA reactant peroxisome
r_4684 1 octanoyl-CoA product mitochondrion
r_4685 1 decanoyl-CoA reactant peroxisome
r_4685 1 decanoyl-CoA product mitochondrion
r_4686 1 propionate reactant peroxisome
r_4686 1 propionate product cytoplasm
r_4687 1 acetyl-CoA reactant cytoplasm
r_4687 1 tyrosol reactant cytoplasm
r_4687 1 coenzyme A product cytoplasm
r_4687 1 tyrosyl acetate product cytoplasm
r_4688 1 tyrosyl acetate reactant cytoplasm
r_4688 1 tyrosyl acetate product extracellular
r_4689 1 tyrosyl acetate reactant extracellular
r_4690 1 acetyl-CoA reactant cytoplasm
r_4690 1 methionol reactant cytoplasm
r_4690 1 coenzyme A product cytoplasm
r_4690 1 methionyl acetate product cytoplasm
r_4691 1 methionyl acetate reactant cytoplasm
r_4691 1 methionyl acetate product extracellular
r_4692 1 methionyl acetate reactant extracellular
r_4693 1 acetyl-CoA reactant cytoplasm
r_4693 1 propanol reactant cytoplasm
r_4693 1 coenzyme A product cytoplasm
r_4693 1 propyl acetate product cytoplasm
r_4694 1 propyl acetate reactant cytoplasm
r_4694 1 propyl acetate product extracellular
r_4695 1 propyl acetate reactant extracellular
r_4697 1 ethyl propionate reactant mitochondrion
r_4697 1 ethyl propionate product cytoplasm
r_4698 1 ethyl propionate reactant cytoplasm
r_4698 1 ethyl propionate product extracellular
r_4699 1 ethyl propionate reactant extracellular
25 changes: 25 additions & 0 deletions ComplementaryData/modelCuration/FAEnewRxnMetAnnotation.tsv
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NewMetName Charged formula Charge KEGG ID CHEBI ID
ethyl hexanoate C8H16O2 0 CHEBI:86055
octanoyl-CoA C29H46N7O17P3S -4 C01944 CHEBI:15533
ethyl octanoate C10H20O2 0 C12292 CHEBI:87426
butanoyl-CoA C25H38N7O17P3S -4 C00136 CHEBI:57371
ethyl butanoate C6H12O2 0 CHEBI:88764
hexanol C6H14O 0 CHEBI:87393
hexyl acetate C8H16O2 0 CHEBI:87510
decanoyl-CoA C31H50N7O17P3S -4 C05274 CHEBI:61430
ethyl decanoate C12H24O2 0 CHEBI:87430
ethyl acetate C4H8O2 0 C00849 CHEBI:27750
propanal C3H6O 0 C00479 CHEBI:17153
propanol C3H8O 0 C05979 CHEBI:28831
methional C4H8OS 0 CHEBI:49017
methionol C4H10OS 0 CHEBI:49019
(4-hydroxyphenyl)acetaldehyde C8H8O2 0 CHEBI:15621
tyrosol C8H10O2 0 C06044 CHEBI:1879
propionate C3H6O2 0 C00163 CHEBI:30768
propionyl-CoA C24H36N7O17P3S -4 C00100 CHEBI:57386
ethyl propionate C5H10O2 0 CHEBI:41330
tyrosyl acetate C10H12O3 0
methionyl acetate C6H12O2S 0
propyl acetate C5H10O2 0 CHEBI:40116
ethylene C2H4 0 C06547 CHEBI:18153
dimethyl disulfide C2H6S2 0 CHEBI:4608
71 changes: 71 additions & 0 deletions ComplementaryData/modelCuration/FAEnewRxnProp.tsv
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RxnID REV GPR RxnName EC Subsystems RxnKEGGid
r_4629 1 (YBR177C or YPL095C) alcohol acyltransferase (hexanoyl-CoA) 2.3.1.84 R00627
r_4630 1 (YBR177C or YPL095C) alcohol acyltransferase (octanoyl-CoA) 2.3.1.84 R00627
r_4631 1 (YBR177C or YPL095C) alcohol acyltransferase (butyryl-CoA) 2.3.1.84 R00627
r_4632 1 (YGR177C or YOR377W or YGR015C) alcohol acetyltransferase (hexanol) 2.3.1.84 R00627
r_4633 1 (YBR177C or YPL095C) alcohol acyltransferase (decanoyl-CoA) 2.3.1.84 R00627
r_4634 1 ethyl hexanoate transport, mitochondrial
r_4635 1 ethyl octanoate transport, mitochondrial
r_4636 1 ethyl butanoate transport, mitochondrial
r_4637 0 hexyl acetate transport, mitochondrial
r_4638 0 ethyl decanoate transport, mitochondrial
r_4639 1 ethyl hexanoate transport
r_4640 1 ethyl octanoate transport
r_4641 1 ethyl butanoate transport
r_4642 0 hexyl acetate transport
r_4643 0 ethyl decanoate transport
r_4644 0 ethyl hexanoate exchange
r_4645 0 ethyl octanoate exchange
r_4646 0 ethyl butanoate exchange
r_4647 0 hexyl acetate exchange
r_4648 0 ethyl decanoate exchange
r_4649 0 (YGR015C) mitochondrial ethanol O-acetyltransferase 2.3.1.268 R11957
r_4650 0 ethyl acetate transport, mitochondrial
r_4651 0 (YGR087C or YLR044C or YLR134W) pyruvate decarboxylase (aldedyde-forming) 4.1.1.1 R00636
r_4652 0 (YBR145W or YDL168W or YOL086C) aldehyde dehydrogenase (1-propanol, NAD) 1.1.1.-; 1.1.1.1; 1.1.1.284 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics R00754
r_4653 0 (YGL256W or YMR083W) aldehyde dehydrogenase (1-propanol, NAD) 1.1.1.1 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics
r_4654 0 (YCR105W or YDR368W or YMR318C) aldehyde dehydrogenase (1-propanol, NADP) 1.1.1.-; 1.1.1.2 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics
r_4655 1 1-propyl alcohol transport, mitochondrial
r_4656 1 propanal transport, cytosol
r_4657 1 1-propyl alcohol transport, cytosol
r_4658 0 propanal exchange
r_4659 0 propanol exchange
r_4660 1 (YHR137W) 2-oxo acid decarboxylase 4.1.1.1 R00636
r_4661 0 (YBR145W or YDL168W or YOL086C) aldehyde dehydrogenase (methionol, NAD) 1.1.1.-; 1.1.1.1; 1.1.1.284 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics R00754
r_4662 0 (YGL256W or YMR083W) aldehyde dehydrogenase (methionol, NAD) 1.1.1.1 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics
r_4663 0 (YCR105W or YDR368W or YMR318C) aldehyde dehydrogenase (methionol, NADP) 1.1.1.-; 1.1.1.2 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics
r_4664 1 methionol transport, mitochondrial
r_4665 1 methional transport, cytosol
r_4666 1 methionol transport, cytosol
r_4667 0 methional exchange
r_4668 0 methionol exchange
r_4669 0 (YGR087C or YLR044C or YLR134W) pyruvate decarboxylase (hydroxy-phenyl) 4.1.1.1
r_4670 0 (YBR145W or YDL168W or YOL086C) aldehyde dehydrogenase (tyrosol, NAD) 1.1.1.-; 1.1.1.1; 1.1.1.284 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics
r_4671 0 (YGL256W or YMR083W) aldehyde dehydrogenase (tyrosol, NAD) 1.1.1.1 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics
r_4672 0 (YCR105W or YDR368W or YMR318C) aldehyde dehydrogenase (tyrosol, NADP) 1.1.1.-; 1.1.1.2 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics
r_4673 1 tyrosol transport, mitochondrial
r_4674 1 (4-hydroxyphenyl)acetaldehyde transport, cytosol
r_4675 1 tyrosol transport, cytosol
r_4676 0 (4-hydroxyphenyl)acetaldehyde exchange
r_4677 0 tyrosol exchange
r_4678 1 (YMR170C or YMR169C or YOR374W) aldehyde dehydrogenase 1.2.1.5 Gluconeogenesis;sce00010 Glycolysis;sce00071 Fatty acid degradation;sce00350 Tyrosine metabolism;sce01110 Biosynthesis of secondary metabolites;sce01130 Biosynthesis of antibiotics
r_4679 1 (YOR317W or YER015W or YIL009W or YMR246W) short-chain-fatty-acid-CoA ligase (propionate) 6.2.1.3 sce00061 Fatty acid biosynthesis;sce00071 Fatty acid degradation;sce01212 Fatty acid metabolism;sce04146 Peroxisome
r_4680 1 (YBR177C or YPL095C) alcohol acyltransferase (propionyl-CoA) 2.3.1.84
r_4681 1 propionyl-CoA transport, mitochondrial
r_4682 1 butyryl-CoA transport, mitochondrial
r_4683 1 hexanoyl-CoA transport, mitochondrial
r_4684 1 octanoyl-CoA transport, mitochondrial
r_4685 1 decanoyl-CoA transport, mitochondrial
r_4686 1 propionate transport, cytosol
r_4687 0 (YGR177C or YOR377W or YGR015C) alcohol acetyltransferase (tyrosol) 2.3.1.84
r_4688 0 tyrosyl acetate transport
r_4689 0 tyrosyl acetate exchange
r_4690 0 (YGR177C or YOR377W or YGR015C) alcohol acetyltransferase (methionol) 2.3.1.84
r_4691 0 methionyl acetate transport
r_4692 0 methionyl acetate exchange
r_4693 0 (YGR177C or YOR377W or YGR015C) alcohol acetyltransferase (propanol) 2.3.1.84
r_4694 0 propyl acetate transport
r_4695 0 propyl acetate exchange
r_4697 1 ethyl propionate transport, mitochondrial
r_4698 0 ethyl propionate transport
r_4699 0 ethyl propionate exchange
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