1.0
C23H38N7O17P3S
Acetyl-CoA
809.1258
142-62-1
CAS
937
ChemSpider
Butyryl-CoA
8552
ChemSpider
NADH
439153
PubChem-compound
SMILES
O
HMDB0000535
HMDB
C10H14N5O7P
Adenosine monophosphate
347.06308
1.0
1.0
CHEBI:16027
ChEBI
CHEBI:57371
ChEBI
NAD
HMDB0000538
HMDB
ATP
BioCyc
3-ketoacyl-CoA thiolase
ReactionCatalysis3757
ACTIVATION
1.0
Short-chain-fatty-acid--CoA ligase
HMDB0002845
HMDB
6816
PubChem-compound
5060-32-2
CAS
ReactionCatalysis3758
ACTIVATION
ReactionCatalysis3759
ACTIVATION
CHEBI:15846
ChEBI
PW001019
PathWhiz
PW001017
PathWhiz
1.0
5742
ChemSpider
1038
PubChem-compound
265
PubChem-compound
CHEBI:30776
ChEBI
HMDB0003942
HMDB
HMDB0003943
HMDB
HMDB0003944
HMDB
Adenosine monophosphate
CHEBI:16908
ChEBI
HMDB0001088
HMDB
5858
ChemSpider
K-HEXANOYL-COA
BioCyc
Acetyl-CoA
1.0
1010
ChemSpider
Fatty Acid Oxidation (Hexanoate)
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@@H](O)C(=O)NCCC(=O)NCCS
Fatty Acid Oxidation (Butanoate)
SubPathway
260
ChemSpider
1.0
C27H46N7O17P3S
Hexanoyl-CoA
865.18835
Hydrogen Ion
P76082
UniProt
C27H46N7O18P3S
3-Hydroxyhexanoyl-CoA
881.1833
C27H44N7O18P3S
3-oxohexanoyl-CoA
879.16766
Caproic acid
C27H44N7O17P3S
(2E)-Hexenoyl-CoA
863.1727
CHEBI:5086
ChEBI
Adenosine triphosphate
58-68-4
CAS
HMDB0001423
HMDB
Reduced electron-transfer flavoprotein
10140154
ChemSpider
C00001
KEGG Compound
CHEBI:28706
ChEBI
C00004
KEGG Compound
C00003
KEGG Compound
440610
PubChem-compound
C00002
KEGG Compound
Fatty acid oxidation complex subunit alpha
an oxidized electron-transfer flavoprotein
19774-86-8
CAS
CHEBI:28276
ChEBI
C21H27N7O14P2
NAD
663.10913
C01585
KEGG Compound
P21151
UniProt
C00010
KEGG Compound
3-ketoacyl-CoA thiolase_
HMDB0000902
HMDB
C05268
KEGG Compound
11966160
PubChem-compound
C00136
KEGG Compound
3-ketoacyl-CoA thiolase
SubPathwayInteraction111220
SubPathway111220Reaction
SubPathwayReaction
C05269
KEGG Compound
Short-chain-fatty-acid--CoA ligase
C05271
KEGG Compound
C21H29N7O14P2
NADH
665.12476
C05270
KEGG Compound
2,3-dehydroadipyl-CoA hydratase
5957
PubChem-compound
HMDB0001206
HMDB
P76503
UniProt
SMP0001035
SMPDB
389508
ChemSpider
SMP0001033
SMPDB
562
TAXONOMY
P77399
UniProt
H
Hydrogen Ion
1.007825
C25H42N7O17P3S
Butyryl-CoA
837.15704
8892
PubChem-compound
Hexanoyl-CoA
56-65-5
CAS
53-84-9
CAS
C00020
KEGG Compound
3-Hydroxyhexanoyl-CoA
3-oxohexanoyl-CoA
(2E)-Hexenoyl-CoA
C00024
KEGG Compound
ReactionCatalysis3735
ACTIVATION
GO:0005737
GENE ONTOLOGY
P38135
UniProt
1.0
79171-47-4
CAS
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
ReactionCatalysis172975
ACTIVATION
ReactionCatalysis172976
ACTIVATION
1.0
5682
ChemSpider
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_
Water
AMP
BioCyc
4.2.1.17
false
4.2.1.17
3-Hydroxyhexanoyl-CoA → (2E)-Hexenoyl-CoA
LEFT_TO_RIGHT
4.2.1.17
false
4.2.1.17
3-Hydroxyhexanoyl-CoA → (2E)-Hexenoyl-CoA
LEFT_TO_RIGHT
Reaction183200
false
3-oxohexanoyl-CoA + Coenzyme A → Acetyl-CoA + Butyryl-CoA
LEFT_TO_RIGHT
FadJ component of anaerobic fatty acid oxidation complex
395736
ChemSpider
CO-A
BioCyc
72-89-9
CAS
CPD-12174
BioCyc
SMILES
CCCC(=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
Coenzyme A
SMILES
CCC[C@H](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
C21H36N7O16P3S
Coenzyme A
767.11523
1.0
Cytoplasm
CHEBI:27540
ChEBI
CHEBI:15422
ChEBI
6557
ChemSpider
Escherichia coli
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
7732-18-5
CAS
388299
ChemSpider
Fatty acid oxidation complex subunit alpha
HMDB0001487
HMDB
61-19-8
CAS
2140-48-9
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_
449118
PubChem-compound
2,3-dehydroadipyl-CoA hydratase
1.0
Butyryl-CoA
SubPathwayInput
HMDB0000045
HMDB
CHEBI:27648
ChEBI
962
PubChem-compound
392413
ChemSpider
2.0
10018-93-6
CAS
5893
PubChem-compound
C00080
KEGG Compound
HMDB0002111
HMDB
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
SMILES
CCCCCC(=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
444493
PubChem-compound
4444331
ChemSpider
6083
PubChem-compound
acetyl-CoA C-acyltransferase
SMILES
CCCC(=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
SMILES
CCC\C=C\C(=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
B7L9A7
UniProt
an oxidized electron-transfer flavoprotein
ACETYL-COA
BioCyc
H2O
Water
18.010565
Reaction3779
false
3-Hydroxyhexanoyl-CoA + NAD → 3-oxohexanoyl-CoA + Hydrogen Ion + NADH
LEFT_TO_RIGHT
Reaction3778
false
(2E)-Hexenoyl-CoA → 3-Hydroxyhexanoyl-CoA + Water
LEFT_TO_RIGHT
1.0
NADH
BioCyc
Reaction3776
true
Hexanoyl-CoA + Hydrogen Ion + an oxidized electron-transfer flavoprotein → (2E)-Hexenoyl-CoA + Reduced electron-transfer flavoprotein
LEFT_TO_RIGHT
NAD
BioCyc
HMDB0059597
HMDB
CHEBI:15351
ChEBI
6.2.1.-
false
6.2.1.-
Adenosine triphosphate + Caproic acid + Coenzyme A → Adenosine monophosphate + Hexanoyl-CoA
LEFT_TO_RIGHT
85-61-0
CAS
1.0