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1.0 C23H38N7O17P3S Acetyl-CoA 809.1258 142-62-1 CAS 937 ChemSpider 8552 ChemSpider NADH 439153 PubChem-compound SMILES O fatty acid oxidation (hexanoate) 371 ChemSpider C10H14N5O7P Adenosine monophosphate 347.06308 1.0 1.0 CHEBI:16027 ChEBI PW001022 PathWhiz NAD ATP BioCyc Octanoyl-CoA 3-ketoacyl-CoA thiolase 1.0 ReactionCatalysis3754 ACTIVATION Short-chain-fatty-acid--CoA ligase 6816 PubChem-compound Reaction3780 false 3-Oxohexanoyl-CoA + Coenzyme A → Acetyl-CoA + Octanoyl-CoA LEFT_TO_RIGHT 5060-32-2 CAS CHEBI:15846 ChEBI PW001019 PathWhiz ReactionCatalysis3752 ACTIVATION ReactionCatalysis3753 ACTIVATION ReactionCatalysis3750 ACTIVATION ReactionCatalysis3751 ACTIVATION 440609 PubChem-compound HMDB01206 HMDB 1.0 5742 ChemSpider CPD-196 BioCyc 380 PubChem-compound 1038 PubChem-compound 1.0 CHEBI:30776 ChEBI HMDB59597 HMDB Adenosine monophosphate HMDB00902 HMDB CHEBI:16908 ChEBI 5858 ChemSpider K-HEXANOYL-COA BioCyc Acetyl-CoA 1.0 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 1.0 HMDB01423 HMDB C27H46N7O17P3S Hexanoyl-CoA 865.18835 Hydrogen Ion P76082 UniProt C27H46N7O18P3S (S)-Hydroxyhexanoyl-CoA 881.1833 Caproic acid C27H44N7O18P3S 3-Oxohexanoyl-CoA 879.16766 C27H44N7O17P3S trans-2-Hexenoyl-CoA 863.1727 CHEBI:5086 ChEBI Adenosine triphosphate 58-68-4 CAS Reduced electron-transfer flavoprotein CHEBI:15533 ChEBI C00001 KEGG Compound CHEBI:28706 ChEBI C00004 KEGG Compound 440611 PubChem-compound C00003 KEGG Compound C00002 KEGG Compound 440610 PubChem-compound Fatty acid oxidation complex subunit alpha an oxidized electron-transfer flavoprotein  19774-86-8 CAS CHEBI:28276 ChEBI HMDB03942 HMDB fatty acid oxidation (octanoate) SubPathway C29H50N7O17P3S Octanoyl-CoA 893.21967 389507 ChemSpider C21H28N7O14P2 NAD 664.11694 HMDB03943 HMDB HMDB03944 HMDB C01585 KEGG Compound P21151 UniProt C00010 KEGG Compound 3-ketoacyl-CoA thiolase_ C05268 KEGG Compound 3-ketoacyl-CoA thiolase Short-chain-fatty-acid--CoA ligase C05269 KEGG Compound C05271 KEGG Compound C21H29N7O14P2 NADH 665.12476 C05270 KEGG Compound 5957 PubChem-compound 2,3-dehydroadipyl-CoA hydratase P76503 UniProt 389509 ChemSpider 389508 ChemSpider P77399 UniProt H Hydrogen Ion 1.007825 8892 PubChem-compound Hexanoyl-CoA 56-65-5 CAS C00020 KEGG Compound 53-84-9 CAS (S)-Hydroxyhexanoyl-CoA 3-Oxohexanoyl-CoA trans-2-Hexenoyl-CoA C00024 KEGG Compound SubPathwayInteraction2089 SubPathway2089Reaction SubPathwayReaction ReactionCatalysis3734 ACTIVATION P38135 UniProt 1.0 HMDB00535 HMDB 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 5682 ChemSpider 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 Reduced electron-transfer flavoprotein 5280765 PubChem-compound 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 FadJ component of anaerobic fatty acid oxidation complex CO-A BioCyc HMDB02845 HMDB 72-89-9 CAS Coenzyme A C21H36N7O16P3S Coenzyme A 767.11523 SMILES CCC[C@H](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 1.0 HMDB01070 HMDB HMDB00538 HMDB CHEBI:27540 ChEBI 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 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 1.0 C10H16N5O13P3 Adenosine triphosphate 506.99576 1.0 C6H12O2 Caproic acid 116.08373 3-ketoacyl-CoA thiolase_ 2,3-dehydroadipyl-CoA hydratase 1.0 CHEBI:27648 ChEBI 962 PubChem-compound 392413 ChemSpider 2.0 10018-93-6 CAS 5893 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound SMP01035 SMPDB SMP01038 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 SMILES CCCCCC(O)=O Fatty acid oxidation complex subunit alpha_ 1.0 1264-52-4 CAS HMDB01487 HMDB SMILES CCCCCC(=O)SCCN=C(O)CCN=C(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 444493 PubChem-compound 6083 PubChem-compound 4444331 ChemSpider acetyl-CoA C-acyltransferase SMILES CCCC(=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 SMILES CCC\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 B7L9A7 UniProt an oxidized electron-transfer flavoprotein  ACETYL-COA BioCyc H2O Water 18.010565 Reaction3779 false (S)-Hydroxyhexanoyl-CoA + NAD → 3-Oxohexanoyl-CoA + Hydrogen Ion + NADH LEFT_TO_RIGHT 1.0 4.2.1.17 false 4.2.1.17 trans-2-Hexenoyl-CoA → (S)-Hydroxyhexanoyl-CoA + Water LEFT_TO_RIGHT Reaction3777 false trans-2-Hexenoyl-CoA ← (S)-Hydroxyhexanoyl-CoA RIGHT_TO_LEFT NADH BioCyc Reaction3776 true Hexanoyl-CoA + Hydrogen Ion + an oxidized electron-transfer flavoprotein  → Reduced electron-transfer flavoprotein + trans-2-Hexenoyl-CoA LEFT_TO_RIGHT NAD BioCyc HMDB00045 HMDB 1-CARBOXYCYCLOHEXANOYL-COA BioCyc CHEBI:15351 ChEBI Reaction3760 false Adenosine triphosphate + Caproic acid + Coenzyme A → Adenosine monophosphate + Hexanoyl-CoA LEFT_TO_RIGHT 85-61-0 CAS Short-chain- fatty-acid-- CoA ligase Fatty acid oxidation complex subunit alpha_ 2,3- dehydroadipyl- CoA hydratase 2,3- dehydroadipyl- CoA hydratase 3-ketoacyl-CoA thiolase_ 3-ketoacyl-CoA thiolase ATP CoA Caproic acid AMP Hexanoyl-CoA H + trans-2- Hexenoyl-CoA (S)- Hydroxyhexanoyl- CoA (S)- Hydroxyhexanoyl- CoA H 2 O NAD NADH H + 3- Oxohexanoyl- CoA CoA Acetyl-CoA Octanoyl-CoA an oxidized electron- transfer flavoprotein Reduced electron- transfer flavoprotein fatty acid oxidation (octanoate) Fatty acid oxidation complex subunit alpha
1.0 C23H38N7O17P3S Acetyl-CoA 809.1258 142-62-1 CAS 937 ChemSpider 8552 ChemSpider NADH 439153 PubChem-compound SMILES O fatty acid oxidation (hexanoate) 371 ChemSpider C10H14N5O7P Adenosine monophosphate 347.06308 1.0 1.0 CHEBI:16027 ChEBI PW001022 PathWhiz NAD ATP BioCyc Octanoyl-CoA 3-ketoacyl-CoA thiolase 1.0 ReactionCatalysis3754 ACTIVATION Short-chain-fatty-acid--CoA ligase 6816 PubChem-compound Reaction3780 false 3-Oxohexanoyl-CoA + Coenzyme A → Acetyl-CoA + Octanoyl-CoA LEFT_TO_RIGHT 5060-32-2 CAS CHEBI:15846 ChEBI PW001019 PathWhiz ReactionCatalysis3752 ACTIVATION ReactionCatalysis3753 ACTIVATION ReactionCatalysis3750 ACTIVATION ReactionCatalysis3751 ACTIVATION 440609 PubChem-compound HMDB01206 HMDB 1.0 5742 ChemSpider CPD-196 BioCyc 380 PubChem-compound 1038 PubChem-compound 1.0 CHEBI:30776 ChEBI HMDB59597 HMDB Adenosine monophosphate HMDB00902 HMDB CHEBI:16908 ChEBI 5858 ChemSpider K-HEXANOYL-COA BioCyc Acetyl-CoA 1.0 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 1.0 HMDB01423 HMDB C27H46N7O17P3S Hexanoyl-CoA 865.18835 Hydrogen Ion P76082 UniProt C27H46N7O18P3S (S)-Hydroxyhexanoyl-CoA 881.1833 Caproic acid C27H44N7O18P3S 3-Oxohexanoyl-CoA 879.16766 C27H44N7O17P3S trans-2-Hexenoyl-CoA 863.1727 CHEBI:5086 ChEBI Adenosine triphosphate 58-68-4 CAS Reduced electron-transfer flavoprotein CHEBI:15533 ChEBI C00001 KEGG Compound CHEBI:28706 ChEBI C00004 KEGG Compound 440611 PubChem-compound C00003 KEGG Compound C00002 KEGG Compound 440610 PubChem-compound Fatty acid oxidation complex subunit alpha an oxidized electron-transfer flavoprotein  19774-86-8 CAS CHEBI:28276 ChEBI HMDB03942 HMDB C29H50N7O17P3S Octanoyl-CoA 893.21967 389507 ChemSpider C21H28N7O14P2 NAD 664.11694 HMDB03943 HMDB HMDB03944 HMDB C01585 KEGG Compound P21151 UniProt C00010 KEGG Compound 3-ketoacyl-CoA thiolase_ C05268 KEGG Compound 3-ketoacyl-CoA thiolase Short-chain-fatty-acid--CoA ligase C05269 KEGG Compound C05271 KEGG Compound C21H29N7O14P2 NADH 665.12476 C05270 KEGG Compound 5957 PubChem-compound 2,3-dehydroadipyl-CoA hydratase P76503 UniProt 389509 ChemSpider 389508 ChemSpider P77399 UniProt H Hydrogen Ion 1.007825 8892 PubChem-compound Hexanoyl-CoA 56-65-5 CAS C00020 KEGG Compound 53-84-9 CAS (S)-Hydroxyhexanoyl-CoA 3-Oxohexanoyl-CoA trans-2-Hexenoyl-CoA C00024 KEGG Compound SubPathwayInteraction2089 SubPathway2089Reaction SubPathwayReaction ReactionCatalysis3734 ACTIVATION P38135 UniProt 1.0 HMDB00535 HMDB 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 5682 ChemSpider 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 Reduced electron-transfer flavoprotein 5280765 PubChem-compound 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 FadJ component of anaerobic fatty acid oxidation complex CO-A BioCyc HMDB02845 HMDB 72-89-9 CAS Coenzyme A C21H36N7O16P3S Coenzyme A 767.11523 SMILES CCC[C@H](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 1.0 HMDB01070 HMDB HMDB00538 HMDB CHEBI:27540 ChEBI 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 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 1.0 C10H16N5O13P3 Adenosine triphosphate 506.99576 1.0 C6H12O2 Caproic acid 116.08373 3-ketoacyl-CoA thiolase_ 2,3-dehydroadipyl-CoA hydratase 1.0 CHEBI:27648 ChEBI 962 PubChem-compound 392413 ChemSpider 2.0 10018-93-6 CAS 5893 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound http://identifiers.org/smpdb/SMP01035 SMPDB http://identifiers.org/smpdb/SMP01038 SMPDB CHEBI:15377 ChEBI fatty acid oxidation (octanoate) SubPathway 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 SMILES CCCCCC(O)=O Fatty acid oxidation complex subunit alpha_ 1.0 1264-52-4 CAS HMDB01487 HMDB SMILES CCCCCC(=O)SCCN=C(O)CCN=C(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 444493 PubChem-compound 6083 PubChem-compound 4444331 ChemSpider acetyl-CoA C-acyltransferase SMILES CCCC(=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 SMILES CCC\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 B7L9A7 UniProt an oxidized electron-transfer flavoprotein  ACETYL-COA BioCyc H2O Water 18.010565 Reaction3779 false (S)-Hydroxyhexanoyl-CoA + NAD → 3-Oxohexanoyl-CoA + Hydrogen Ion + NADH LEFT_TO_RIGHT 1.0 4.2.1.17 false 4.2.1.17 trans-2-Hexenoyl-CoA → (S)-Hydroxyhexanoyl-CoA + Water LEFT_TO_RIGHT Reaction3777 false trans-2-Hexenoyl-CoA ← (S)-Hydroxyhexanoyl-CoA RIGHT_TO_LEFT NADH BioCyc Reaction3776 true Hexanoyl-CoA + Hydrogen Ion + an oxidized electron-transfer flavoprotein  → Reduced electron-transfer flavoprotein + trans-2-Hexenoyl-CoA LEFT_TO_RIGHT NAD BioCyc HMDB00045 HMDB 1-CARBOXYCYCLOHEXANOYL-COA BioCyc CHEBI:15351 ChEBI Reaction3760 false Adenosine triphosphate + Caproic acid + Coenzyme A → Adenosine monophosphate + Hexanoyl-CoA LEFT_TO_RIGHT 85-61-0 CAS fadK fadJ paaF paaF fadI fadA Adenosine triphosphate Coenzyme A Caproic acid Adenosine monophosphate Hexanoyl-CoA Hydrogen Ion trans-2- Hexenoyl-CoA (S)- Hydroxyhexanoyl- CoA (S)- Hydroxyhexanoyl- CoA Water NAD NADH Hydrogen Ion 3- Oxohexanoyl- CoA Coenzyme A Acetyl-CoA Octanoyl-CoA an oxidized electron- transfer flavoprotein Reduced electron- transfer flavoprotein fatty acid oxidation (octanoate) fadB