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C23H38N7O17P3S Acetyl-CoA 809.1258 937 ChemSpider Reaction3795 false 3-Oxooctanoyl-CoA + Coenzyme A → Acetyl-CoA + Decanoyl-CoA (n-C10:0CoA) LEFT_TO_RIGHT Reaction3794 false (S)-Hydroxyoctanoyl-CoA + NAD ? 3-Oxooctanoyl-CoA + Hydrogen Ion + NADH NADH Reaction3793 false (2E)-Octenoyl-CoA → (S)-Hydroxyoctanoyl-CoA + Water LEFT_TO_RIGHT Reaction3792 false (S)-Hydroxyoctanoyl-CoA → (2E)-Octenoyl-CoA LEFT_TO_RIGHT Reaction3791 true Hydrogen Ion + Octanoyl-CoA + an oxidized electron-transfer flavoprotein  → (2E)-Octenoyl-CoA + Reduced electron-transfer flavoprotein LEFT_TO_RIGHT 439153 PubChem-compound SMILES O 371 ChemSpider 370 ChemSpider C10H14N5O7P Adenosine monophosphate 347.06308 1.0 CHEBI:16027 ChEBI PW001022 PathWhiz NAD ATP BioCyc Octanoyl-CoA C06423 KEGG Compound 3-ketoacyl-CoA thiolase 1.0 Short-chain-fatty-acid--CoA ligase 6816 PubChem-compound CHEBI:15846 ChEBI PW001018 PathWhiz 440608 PubChem-compound HMDB01206 HMDB 1.0 5742 ChemSpider CPD-196 BioCyc 380 PubChem-compound 1038 PubChem-compound CPD-195 BioCyc 1.0 ReactionCatalysis3767 ACTIVATION ReactionCatalysis3768 ACTIVATION ReactionCatalysis3765 ACTIVATION ReactionCatalysis3766 ACTIVATION HMDB59597 HMDB ReactionCatalysis3769 ACTIVATION Adenosine monophosphate 1.0 HMDB00902 HMDB CHEBI:16908 ChEBI 379 PubChem-compound 5858 ChemSpider fatty acid oxidation (octanoate) 7-METHYL-3-OXOOCTANOYL-COA BioCyc Acetyl-CoA HMDB00482 HMDB 1010 ChemSpider SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS SMILES CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 1.0 HMDB01423 HMDB Hydrogen Ion P76082 UniProt CHEBI:28837 ChEBI CHEBI:5086 ChEBI Adenosine triphosphate 58-68-4 CAS C29H48N7O17P3S (2E)-Octenoyl-CoA 891.20404 53477508 PubChem-compound Reduced electron-transfer flavoprotein CHEBI:15533 ChEBI C00001 KEGG Compound 440615 PubChem-compound C00004 KEGG Compound C00003 KEGG Compound C00002 KEGG Compound C05266 KEGG Compound Fatty acid oxidation complex subunit alpha an oxidized electron-transfer flavoprotein  HMDB03941 HMDB C29H50N7O17P3S Octanoyl-CoA 893.21967 HMDB03940 HMDB C21H28N7O14P2 NAD 664.11694 389506 ChemSpider P21151 UniProt C00010 KEGG Compound 3-ketoacyl-CoA thiolase_ C05267 KEGG Compound 1.0 3-ketoacyl-CoA thiolase Short-chain-fatty-acid--CoA ligase (2E)-Octenoyl-CoA C05274 KEGG Compound C05276 KEGG Compound C21H29N7O14P2 NADH 665.12476 5957 PubChem-compound 2,3-dehydroadipyl-CoA hydratase P76503 UniProt CHEBI:28264 ChEBI P77399 UniProt H Hydrogen Ion 1.007825 56-65-5 CAS C00020 KEGG Compound 53-84-9 CAS 3-Oxooctanoyl-CoA 389510 ChemSpider C00024 KEGG Compound (S)-Hydroxyoctanoyl-CoA 1264-57-9 CAS SMILES CCCCCCCC(O)=O C29H50N7O18P3S (S)-Hydroxyoctanoyl-CoA 909.2146 ReactionCatalysis3737 ACTIVATION C29H48N7O18P3S 3-Oxooctanoyl-CoA 907.1989 SubPathwayInteraction2092 SubPathway2092Reaction SubPathwayReaction HMDB03949 HMDB P38135 UniProt CHEBI:28493 ChEBI 1.0 SMILES NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 1.0 SMILES CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 5682 ChemSpider Reduced electron-transfer flavoprotein SMILES NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O CHEBI:1146900 ChEBI Fatty acid oxidation complex subunit alpha_ AMP BioCyc Water 5280769 PubChem-compound FadJ component of anaerobic fatty acid oxidation complex HMDB06404 HMDB CO-A BioCyc 72-89-9 CAS Decanoyl-CoA (n-C10:0CoA) Coenzyme A CHEBI:28632 ChEBI SMILES [H][C@](O)(CCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N SMILES CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 C21H36N7O16P3S Coenzyme A 767.11523 HMDB01070 HMDB 79171-48-5 CAS C31H54N7O17P3S Decanoyl-CoA (n-C10:0CoA) 921.251 HMDB00538 HMDB C01944 KEGG Compound CHEBI:15422 ChEBI 6557 ChemSpider SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N Fatty acid oxidation complex subunit alpha 7732-18-5 CAS 388299 ChemSpider 54684-64-9 CAS 61-19-8 CAS SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 CHEBI:27537 ChEBI 1.0 C10H16N5O13P3 Adenosine triphosphate 506.99576 1.0 3-ketoacyl-CoA thiolase_ 2,3-dehydroadipyl-CoA hydratase 1.0 1.0 1.0 962 PubChem-compound 392413 ChemSpider 2.0 fatty acid oxidation (Decanoate) SubPathway 5893 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound http://identifiers.org/smpdb/SMP01038 SMPDB http://identifiers.org/smpdb/SMP01034 SMPDB CHEBI:15377 ChEBI CHEBI:15378 ChEBI SMILES [H+] SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Caprylic acid Fatty acid oxidation complex subunit alpha_ 1.0 124-07-2 CAS C8H16O2 Caprylic acid 144.11504 1264-52-4 CAS HMDB01487 HMDB 4444335 ChemSpider 444493 PubChem-compound 6083 PubChem-compound 1.0 acetyl-CoA C-acyltransferase 10018-94-7 CAS B7L9A7 UniProt an oxidized electron-transfer flavoprotein  ACETYL-COA BioCyc H2O Water 18.010565 SMILES CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N NADH BioCyc NAD BioCyc HMDB00045 HMDB CHEBI:15351 ChEBI 85-61-0 CAS Reaction3763 false Adenosine triphosphate + Caprylic acid + Coenzyme A → Adenosine monophosphate + Octanoyl-CoA LEFT_TO_RIGHT Short-chain- fatty-acid-- CoA ligase Fatty acid oxidation complex subunit alpha_ Fatty acid oxidation complex subunit alpha 2,3- dehydroadipyl- CoA hydratase 2,3- dehydroadipyl- CoA hydratase 3-ketoacyl-CoA thiolase_ 3-ketoacyl-CoA thiolase Caprylic acid ATP CoA AMP Octanoyl-CoA H + (2E)- Octenoyl-CoA (S)- Hydroxyoctanoyl- CoA H 2 O (S)- Hydroxyoctanoyl- CoA NAD NADH H + 3- Oxooctanoyl- CoA CoA Acetyl-CoA Decanoyl-CoA (n-C10:0CoA) an oxidized electron- transfer flavoprotein Reduced electron- transfer flavoprotein fatty acid oxidation (Decanoate)
C23H38N7O17P3S Acetyl-CoA 809.1258 937 ChemSpider Reaction3795 false 3-Oxooctanoyl-CoA + Coenzyme A → Acetyl-CoA + Decanoyl-CoA (n-C10:0CoA) LEFT_TO_RIGHT Reaction3794 false (S)-Hydroxyoctanoyl-CoA + NAD ? 3-Oxooctanoyl-CoA + Hydrogen Ion + NADH NADH Reaction3793 false (2E)-Octenoyl-CoA → (S)-Hydroxyoctanoyl-CoA + Water LEFT_TO_RIGHT Reaction3792 false (S)-Hydroxyoctanoyl-CoA → (2E)-Octenoyl-CoA LEFT_TO_RIGHT Reaction3791 true Hydrogen Ion + Octanoyl-CoA + an oxidized electron-transfer flavoprotein  → (2E)-Octenoyl-CoA + Reduced electron-transfer flavoprotein LEFT_TO_RIGHT 439153 PubChem-compound SMILES O 371 ChemSpider 370 ChemSpider C10H14N5O7P Adenosine monophosphate 347.06308 1.0 CHEBI:16027 ChEBI PW001022 PathWhiz NAD ATP BioCyc Octanoyl-CoA C06423 KEGG Compound 3-ketoacyl-CoA thiolase 1.0 Short-chain-fatty-acid--CoA ligase 6816 PubChem-compound CHEBI:15846 ChEBI PW001018 PathWhiz 440608 PubChem-compound HMDB01206 HMDB 1.0 5742 ChemSpider CPD-196 BioCyc 380 PubChem-compound 1038 PubChem-compound CPD-195 BioCyc 1.0 ReactionCatalysis3767 ACTIVATION ReactionCatalysis3768 ACTIVATION ReactionCatalysis3765 ACTIVATION ReactionCatalysis3766 ACTIVATION HMDB59597 HMDB ReactionCatalysis3769 ACTIVATION Adenosine monophosphate 1.0 HMDB00902 HMDB CHEBI:16908 ChEBI 379 PubChem-compound 5858 ChemSpider fatty acid oxidation (octanoate) 7-METHYL-3-OXOOCTANOYL-COA BioCyc Acetyl-CoA HMDB00482 HMDB 1010 ChemSpider SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS SMILES CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 1.0 HMDB01423 HMDB Hydrogen Ion P76082 UniProt CHEBI:28837 ChEBI CHEBI:5086 ChEBI Adenosine triphosphate 58-68-4 CAS C29H48N7O17P3S (2E)-Octenoyl-CoA 891.20404 53477508 PubChem-compound Reduced electron-transfer flavoprotein CHEBI:15533 ChEBI C00001 KEGG Compound 440615 PubChem-compound C00004 KEGG Compound C00003 KEGG Compound C00002 KEGG Compound C05266 KEGG Compound Fatty acid oxidation complex subunit alpha an oxidized electron-transfer flavoprotein  HMDB03941 HMDB C29H50N7O17P3S Octanoyl-CoA 893.21967 HMDB03940 HMDB C21H28N7O14P2 NAD 664.11694 389506 ChemSpider P21151 UniProt C00010 KEGG Compound 3-ketoacyl-CoA thiolase_ C05267 KEGG Compound 1.0 3-ketoacyl-CoA thiolase Short-chain-fatty-acid--CoA ligase (2E)-Octenoyl-CoA C05274 KEGG Compound C05276 KEGG Compound C21H29N7O14P2 NADH 665.12476 5957 PubChem-compound 2,3-dehydroadipyl-CoA hydratase P76503 UniProt CHEBI:28264 ChEBI P77399 UniProt H Hydrogen Ion 1.007825 56-65-5 CAS C00020 KEGG Compound 53-84-9 CAS 3-Oxooctanoyl-CoA 389510 ChemSpider C00024 KEGG Compound (S)-Hydroxyoctanoyl-CoA 1264-57-9 CAS SMILES CCCCCCCC(O)=O C29H50N7O18P3S (S)-Hydroxyoctanoyl-CoA 909.2146 ReactionCatalysis3737 ACTIVATION C29H48N7O18P3S 3-Oxooctanoyl-CoA 907.1989 SubPathwayInteraction2092 SubPathway2092Reaction SubPathwayReaction HMDB03949 HMDB P38135 UniProt CHEBI:28493 ChEBI 1.0 SMILES NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 1.0 SMILES CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 5682 ChemSpider Reduced electron-transfer flavoprotein SMILES NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O CHEBI:1146900 ChEBI Fatty acid oxidation complex subunit alpha_ AMP BioCyc Water 5280769 PubChem-compound FadJ component of anaerobic fatty acid oxidation complex HMDB06404 HMDB CO-A BioCyc 72-89-9 CAS Decanoyl-CoA (n-C10:0CoA) Coenzyme A CHEBI:28632 ChEBI SMILES [H][C@](O)(CCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N SMILES CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 C21H36N7O16P3S Coenzyme A 767.11523 HMDB01070 HMDB 79171-48-5 CAS C31H54N7O17P3S Decanoyl-CoA (n-C10:0CoA) 921.251 HMDB00538 HMDB C01944 KEGG Compound CHEBI:15422 ChEBI 6557 ChemSpider SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N Fatty acid oxidation complex subunit alpha 7732-18-5 CAS 388299 ChemSpider 54684-64-9 CAS 61-19-8 CAS SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 CHEBI:27537 ChEBI 1.0 C10H16N5O13P3 Adenosine triphosphate 506.99576 1.0 3-ketoacyl-CoA thiolase_ 2,3-dehydroadipyl-CoA hydratase 1.0 1.0 1.0 962 PubChem-compound 392413 ChemSpider 2.0 fatty acid oxidation (Decanoate) SubPathway 5893 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound http://identifiers.org/smpdb/SMP01038 SMPDB http://identifiers.org/smpdb/SMP01034 SMPDB CHEBI:15377 ChEBI CHEBI:15378 ChEBI SMILES [H+] SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Caprylic acid Fatty acid oxidation complex subunit alpha_ 1.0 124-07-2 CAS C8H16O2 Caprylic acid 144.11504 1264-52-4 CAS HMDB01487 HMDB 4444335 ChemSpider 444493 PubChem-compound 6083 PubChem-compound 1.0 acetyl-CoA C-acyltransferase 10018-94-7 CAS B7L9A7 UniProt an oxidized electron-transfer flavoprotein  ACETYL-COA BioCyc H2O Water 18.010565 SMILES CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N NADH BioCyc NAD BioCyc HMDB00045 HMDB CHEBI:15351 ChEBI 85-61-0 CAS Reaction3763 false Adenosine triphosphate + Caprylic acid + Coenzyme A → Adenosine monophosphate + Octanoyl-CoA LEFT_TO_RIGHT fadK fadJ fadB paaF paaF fadI fadA Caprylic acid Adenosine triphosphate Coenzyme A Adenosine monophosphate Octanoyl-CoA Hydrogen Ion (2E)- Octenoyl-CoA (S)- Hydroxyoctanoyl- CoA Water (S)- Hydroxyoctanoyl- CoA NAD NADH Hydrogen Ion 3- Oxooctanoyl- CoA Coenzyme A Acetyl-CoA Decanoyl-CoA (n-C10:0CoA) an oxidized electron- transfer flavoprotein Reduced electron- transfer flavoprotein fatty acid oxidation (Decanoate)