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1.0 C23H38N7O17P3S Acetyl-CoA 809.1258 937 ChemSpider 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 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_ NADH AMP BioCyc Water 439153 PubChem-compound SMILES O STEARIC_ACID BioCyc C16216 KEGG Compound C16218 KEGG Compound C10H14N5O7P Adenosine monophosphate 347.06308 STEAROYL-COA BioCyc 1.0 FadJ component of anaerobic fatty acid oxidation complex CHEBI:16027 ChEBI HMDB01114 HMDB PW001024 PathWhiz CO-A BioCyc HMDB06529 HMDB 5281 PubChem-compound C01530 KEGG Compound NAD ATP BioCyc 72-89-9 CAS 388366 ChemSpider 1.0 1.0 Coenzyme A 3-ketoacyl-CoA thiolase 1.0 Short-chain-fatty-acid--CoA ligase C21H36N7O16P3S Coenzyme A 767.11523 6816 PubChem-compound HMDB00538 HMDB CHEBI:15846 ChEBI CHEBI:15541 ChEBI CHEBI:15422 ChEBI 6557 ChemSpider HMDB01206 HMDB 1.0 5742 ChemSpider 1038 PubChem-compound 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 (S)-3-Hydroxyoctadecanoyl-CoA 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 HMDB59597 HMDB C39H68N7O17P3S trans-Octadec-2-enoyl-CoA 1031.3605 Adenosine monophosphate 1.0 HMDB00902 HMDB CHEBI:16908 ChEBI 5858 ChemSpider C10H16N5O13P3 Adenosine triphosphate 506.99576 1.0 fatty acid oxidation (steareate) 3-ketoacyl-CoA thiolase_ Acetyl-CoA 2,3-dehydroadipyl-CoA hydratase 1.0 SMILES CCCCCCCCCCCCCCCC(O)CC(=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 1010 ChemSpider ReactionCatalysis3778 ACTIVATION 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 ReactionCatalysis3779 ACTIVATION ReactionCatalysis3776 ACTIVATION ReactionCatalysis3777 ACTIVATION Stearic acid C18H36O2 Stearic acid 284.27155 ReactionCatalysis3775 ACTIVATION 22833663 PubChem-compound 962 PubChem-compound 1.0 HMDB01423 HMDB Hydrogen Ion P76082 UniProt 392413 ChemSpider 2.0 CHEBI:5086 ChEBI 5893 PubChem-compound Adenosine triphosphate HMDB02111 HMDB 58-68-4 CAS C00080 KEGG Compound SMILES CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])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 CHEBI:28842 ChEBI trans-Octadec-2-enoyl-CoA 193824 PubChem-compound 17216373 ChemSpider 5091 ChemSpider C39H66N7O18P3S 3-Oxooctadecanoyl-CoA 1045.3398 C39H70N7O17P3S Stearoyl-CoA 1033.3762 Reduced electron-transfer flavoprotein 57-11-4 CAS CHEBI:15377 ChEBI 53477850 PubChem-compound CHEBI:15378 ChEBI SMILES [H+] C00001 KEGG Compound 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 C39H70N7O18P3S (S)-3-Hydroxyoctadecanoyl-CoA 1049.3711 Fatty acid oxidation complex subunit alpha_ 1.0 C00004 KEGG Compound C00003 KEGG Compound C00002 KEGG Compound 1.0 SMP01040 SMPDB Fatty acid oxidation complex subunit alpha SMILES CCCCCCCCCCCCCCCCCC(O)=O 86370-20-9 CAS an oxidized electron-transfer flavoprotein  1.0 439229 PubChem-compound HMDB01487 HMDB 362-66-3 CAS 444493 PubChem-compound C21H28N7O14P2 NAD 664.11694 6083 PubChem-compound P21151 UniProt C00010 KEGG Compound acetyl-CoA C-acyltransferase 3-ketoacyl-CoA thiolase_ C00412 KEGG Compound 3-Oxooctadecanoyl-CoA 3-ketoacyl-CoA thiolase Short-chain-fatty-acid--CoA ligase HMDB06498 HMDB B7L9A7 UniProt SMILES CCCCCCCCCCCCCCCC(=O)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 an oxidized electron-transfer flavoprotein  ACETYL-COA BioCyc Stearoyl-CoA C21H29N7O14P2 NADH 665.12476 H2O Water 18.010565 SMILES CCCCCCCCCCCCCCCCCC(=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 5957 PubChem-compound 2,3-dehydroadipyl-CoA hydratase P76503 UniProt HMDB00827 HMDB NADH BioCyc P77399 UniProt NAD BioCyc HMDB00045 HMDB H Hydrogen Ion 1.007825 1.0 Reaction3805 false 3-Oxooctadecanoyl-CoA + Coenzyme A → Acetyl-CoA + Stearoyl-CoA LEFT_TO_RIGHT Reaction3804 false (S)-3-Hydroxyoctadecanoyl-CoA + NAD → 3-Oxooctadecanoyl-CoA + Hydrogen Ion + NADH LEFT_TO_RIGHT 56-65-5 CAS C00020 KEGG Compound 53-84-9 CAS CHEBI:15351 ChEBI C00024 KEGG Compound ReactionCatalysis3739 ACTIVATION Reaction3803 false trans-Octadec-2-enoyl-CoA → (S)-3-Hydroxyoctadecanoyl-CoA + Water LEFT_TO_RIGHT 85-61-0 CAS Reaction3802 false (S)-3-Hydroxyoctadecanoyl-CoA → trans-Octadec-2-enoyl-CoA LEFT_TO_RIGHT P38135 UniProt Reaction3801 true Hydrogen Ion + Stearoyl-CoA + an oxidized electron-transfer flavoprotein  → Reduced electron-transfer flavoprotein + trans-Octadec-2-enoyl-CoA LEFT_TO_RIGHT Reaction3765 false Adenosine triphosphate + Coenzyme A + Stearic acid → Adenosine monophosphate + Stearoyl-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 Stearic acid ATP CoA AMP Stearoyl-CoA H + trans- Octadec-2- enoyl-CoA (S)-3- Hydroxyoctadecanoyl- CoA (S)-3- Hydroxyoctadecanoyl- CoA H 2 O NAD NADH H + 3- Oxooctadecanoyl- CoA CoA Acetyl-CoA Stearoyl-CoA an oxidized electron- transfer flavoprotein Reduced electron- transfer flavoprotein
1.0 C23H38N7O17P3S Acetyl-CoA 809.1258 937 ChemSpider 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 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_ NADH AMP BioCyc Water 439153 PubChem-compound SMILES O STEARIC_ACID BioCyc C16216 KEGG Compound C16218 KEGG Compound C10H14N5O7P Adenosine monophosphate 347.06308 STEAROYL-COA BioCyc 1.0 FadJ component of anaerobic fatty acid oxidation complex CHEBI:16027 ChEBI HMDB01114 HMDB PW001024 PathWhiz CO-A BioCyc HMDB06529 HMDB 5281 PubChem-compound C01530 KEGG Compound NAD ATP BioCyc 72-89-9 CAS 388366 ChemSpider 1.0 1.0 Coenzyme A 3-ketoacyl-CoA thiolase 1.0 Short-chain-fatty-acid--CoA ligase C21H36N7O16P3S Coenzyme A 767.11523 6816 PubChem-compound HMDB00538 HMDB CHEBI:15846 ChEBI CHEBI:15541 ChEBI CHEBI:15422 ChEBI 6557 ChemSpider HMDB01206 HMDB 1.0 5742 ChemSpider 1038 PubChem-compound 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 (S)-3-Hydroxyoctadecanoyl-CoA 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 HMDB59597 HMDB C39H68N7O17P3S trans-Octadec-2-enoyl-CoA 1031.3605 Adenosine monophosphate 1.0 HMDB00902 HMDB CHEBI:16908 ChEBI 5858 ChemSpider C10H16N5O13P3 Adenosine triphosphate 506.99576 1.0 fatty acid oxidation (steareate) 3-ketoacyl-CoA thiolase_ Acetyl-CoA 2,3-dehydroadipyl-CoA hydratase 1.0 SMILES CCCCCCCCCCCCCCCC(O)CC(=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 1010 ChemSpider ReactionCatalysis3778 ACTIVATION 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 ReactionCatalysis3779 ACTIVATION ReactionCatalysis3776 ACTIVATION ReactionCatalysis3777 ACTIVATION Stearic acid C18H36O2 Stearic acid 284.27155 ReactionCatalysis3775 ACTIVATION 22833663 PubChem-compound 962 PubChem-compound 1.0 HMDB01423 HMDB Hydrogen Ion P76082 UniProt 392413 ChemSpider 2.0 CHEBI:5086 ChEBI 5893 PubChem-compound Adenosine triphosphate HMDB02111 HMDB 58-68-4 CAS C00080 KEGG Compound SMILES CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])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 CHEBI:28842 ChEBI trans-Octadec-2-enoyl-CoA 193824 PubChem-compound 17216373 ChemSpider 5091 ChemSpider C39H66N7O18P3S 3-Oxooctadecanoyl-CoA 1045.3398 C39H70N7O17P3S Stearoyl-CoA 1033.3762 Reduced electron-transfer flavoprotein 57-11-4 CAS CHEBI:15377 ChEBI 53477850 PubChem-compound CHEBI:15378 ChEBI SMILES [H+] C00001 KEGG Compound 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 C39H70N7O18P3S (S)-3-Hydroxyoctadecanoyl-CoA 1049.3711 Fatty acid oxidation complex subunit alpha_ 1.0 C00004 KEGG Compound C00003 KEGG Compound C00002 KEGG Compound 1.0 http://identifiers.org/smpdb/SMP01040 SMPDB Fatty acid oxidation complex subunit alpha SMILES CCCCCCCCCCCCCCCCCC(O)=O 86370-20-9 CAS an oxidized electron-transfer flavoprotein  1.0 439229 PubChem-compound HMDB01487 HMDB 362-66-3 CAS 444493 PubChem-compound C21H28N7O14P2 NAD 664.11694 6083 PubChem-compound P21151 UniProt C00010 KEGG Compound acetyl-CoA C-acyltransferase 3-ketoacyl-CoA thiolase_ C00412 KEGG Compound 3-Oxooctadecanoyl-CoA 3-ketoacyl-CoA thiolase Short-chain-fatty-acid--CoA ligase HMDB06498 HMDB B7L9A7 UniProt SMILES CCCCCCCCCCCCCCCC(=O)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 an oxidized electron-transfer flavoprotein  ACETYL-COA BioCyc Stearoyl-CoA C21H29N7O14P2 NADH 665.12476 H2O Water 18.010565 SMILES CCCCCCCCCCCCCCCCCC(=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 5957 PubChem-compound 2,3-dehydroadipyl-CoA hydratase P76503 UniProt HMDB00827 HMDB NADH BioCyc P77399 UniProt NAD BioCyc HMDB00045 HMDB H Hydrogen Ion 1.007825 1.0 Reaction3805 false 3-Oxooctadecanoyl-CoA + Coenzyme A → Acetyl-CoA + Stearoyl-CoA LEFT_TO_RIGHT Reaction3804 false (S)-3-Hydroxyoctadecanoyl-CoA + NAD → 3-Oxooctadecanoyl-CoA + Hydrogen Ion + NADH LEFT_TO_RIGHT 56-65-5 CAS C00020 KEGG Compound 53-84-9 CAS CHEBI:15351 ChEBI C00024 KEGG Compound ReactionCatalysis3739 ACTIVATION Reaction3803 false trans-Octadec-2-enoyl-CoA → (S)-3-Hydroxyoctadecanoyl-CoA + Water LEFT_TO_RIGHT 85-61-0 CAS Reaction3802 false (S)-3-Hydroxyoctadecanoyl-CoA → trans-Octadec-2-enoyl-CoA LEFT_TO_RIGHT P38135 UniProt Reaction3801 true Hydrogen Ion + Stearoyl-CoA + an oxidized electron-transfer flavoprotein  → Reduced electron-transfer flavoprotein + trans-Octadec-2-enoyl-CoA LEFT_TO_RIGHT Reaction3765 false Adenosine triphosphate + Coenzyme A + Stearic acid → Adenosine monophosphate + Stearoyl-CoA LEFT_TO_RIGHT fadK fadJ fadB paaF paaF fadI fadA Stearic acid Adenosine triphosphate Coenzyme A Adenosine monophosphate Stearoyl-CoA Hydrogen Ion trans- Octadec-2- enoyl-CoA (S)-3- Hydroxyoctadecanoyl- CoA (S)-3- Hydroxyoctadecanoyl- CoA Water NAD NADH Hydrogen Ion 3- Oxooctadecanoyl- CoA Coenzyme A Acetyl-CoA Stearoyl-CoA an oxidized electron- transfer flavoprotein Reduced electron- transfer flavoprotein