1.0
C4H8O2
Butyric acid
88.05243
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
Butyryl-CoA
2-METHYL-3-HYDROXY-BUTYRYL-COA
BioCyc
5682
ChemSpider
388353
ChemSpider
3-ketoacyl-CoA thiolase
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
259
ChemSpider
Reduced electron-transfer flavoprotein
NADH
CHEBI:1146900
ChEBI
Water
2871-66-1
CAS
SMILES
CC(=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=C1N=CN=C2N
AMP
BioCyc
439153
PubChem-compound
SMILES
O
Acetoacetyl-CoA
3-ketoacyl-CoA thiolase_
C10H14N5O7P
Adenosine monophosphate
347.06308
1.0
CHEBI:16027
ChEBI
CO-A
BioCyc
1.0
CHEBI:57371
ChEBI
NAD
HMDB0000538
HMDB
ATP
BioCyc
72-89-9
CAS
CPD-12174
BioCyc
CHEBI:15452
ChEBI
389056
ChemSpider
SMILES
CCCC(=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=C1N=CN=C2N
Coenzyme A
ReactionCatalysis3757
ACTIVATION
1.0
C03561
KEGG Compound
Short-chain-fatty-acid--CoA ligase
C21H36N7O16P3S
Coenzyme A
767.11523
1.0
6816
PubChem-compound
ReactionCatalysis3758
ACTIVATION
CHEBI:15846
ChEBI
Cytoplasm
102680-35-3
CAS
ACETOACETYL-COA
BioCyc
PW001017
PathWhiz
1.0
CHEBI:15422
ChEBI
1.0
6557
ChemSpider
1.0
Escherichia coli
5280381
PubChem-compound
SMILES
CCCC(O)=O
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
7732-18-5
CAS
388299
ChemSpider
265
PubChem-compound
C00332
KEGG Compound
264
PubChem-compound
HMDB0001487
HMDB
61-19-8
CAS
2140-48-9
CAS
1.0
SMILES
NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
Hydrogen Ion
440045
PubChem-compound
439214
PubChem-compound
HMDB0000039
HMDB
C25H40N7O17P3S
Crotonoyl-CoA
835.1414
Adenosine monophosphate
2.3.1.16
false
2.3.1.16
Acetoacetyl-CoA + Coenzyme A → 2 Acetyl-CoA
LEFT_TO_RIGHT
CHEBI:16908
ChEBI
HMDB0001484
HMDB
6.2.1.-
false
6.2.1.-
Adenosine triphosphate + Butyric acid + Coenzyme A → Adenosine monophosphate + Butyryl-CoA
LEFT_TO_RIGHT
HMDB0001088
HMDB
5858
ChemSpider
Reduced electron-transfer flavoprotein
C10H16N5O13P3
Adenosine triphosphate
506.99576
1.0
Butyric acid
3-ketoacyl-CoA thiolase_
2,3-dehydroadipyl-CoA hydratase
1.0
CHEBI:30772
ChEBI
Butyryl-CoA
1010
ChemSpider
107-92-6
CAS
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
HMDB0000045
HMDB
Fatty Acid Oxidation (Butanoate)
260
ChemSpider
Acetyl-CoA
962
PubChem-compound
C00877
KEGG Compound
1.0
1.0
Hydrogen Ion
P76082
UniProt
392413
ChemSpider
an oxidized electron-transfer flavoprotein
Crotonoyl-CoA
CHEBI:5086
ChEBI
C25H42N7O18P3S
3-Hydroxybutyryl-CoA
853.152
5893
PubChem-compound
4444072
ChemSpider
Adenosine triphosphate
58-68-4
CAS
C00080
KEGG Compound
HMDB0001423
HMDB
SMILES
C\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=C(N)N=CN=C12
1.0
HMDB0002111
HMDB
1420-36-6
CAS
CHEBI:15377
ChEBI
1.0
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
CPD-1083
BioCyc
C00004
KEGG Compound
C00246
KEGG Compound
C00003
KEGG Compound
C00002
KEGG Compound
1.0
1.0
HMDB0002009
HMDB
an oxidized electron-transfer flavoprotein
SMILES
C[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=C1N=CN=C2N
CHEBI:15345
ChEBI
444493
PubChem-compound
C21H28N7O14P2
NAD
664.11694
6083
PubChem-compound
P21151
UniProt
C00010
KEGG Compound
HMDB0000902
HMDB
C00136
KEGG Compound
3-ketoacyl-CoA thiolase
Short-chain-fatty-acid--CoA ligase
C25H40N7O18P3S
Acetoacetyl-CoA
851.13635
ACETYL-COA
BioCyc
C21H29N7O14P2
NADH
665.12476
H2O
Water
18.010565
Acetoacetyl-CoA
2,3-dehydroadipyl-CoA hydratase
5957
PubChem-compound
HMDB0001206
HMDB
P76503
UniProt
NADH
BioCyc
SMP0001033
SMPDB
562
TAXONOMY
HMDB0001166
HMDB
NAD
BioCyc
Crotonoyl-CoA
3-Hydroxybutyryl-CoA
H
Hydrogen Ion
1.007825
C25H42N7O17P3S
Butyryl-CoA
837.15704
HMDB0059597
HMDB
56-65-5
CAS
53-84-9
CAS
C00020
KEGG Compound
CHEBI:15351
ChEBI
CHEBI:15473
ChEBI
C00024
KEGG Compound
ReactionCatalysis3735
ACTIVATION
GO:0005737
GENE ONTOLOGY
ReactionCatalysis172974
ACTIVATION
acetyl-CoA C-acyltransferase
Reaction3769
false
3-Hydroxybutyryl-CoA + NAD → Acetoacetyl-CoA + Hydrogen Ion + NADH
LEFT_TO_RIGHT
85-61-0
CAS
Coenzyme A
Reaction3768
false
Crotonoyl-CoA → 3-Hydroxybutyryl-CoA + Water
LEFT_TO_RIGHT
P38135
UniProt
2.0
1.0
Reaction3766
true
Butyryl-CoA + Hydrogen Ion + an oxidized electron-transfer flavoprotein → Crotonoyl-CoA + Reduced electron-transfer flavoprotein
LEFT_TO_RIGHT
1.0