C23H38N7O17P3S
Acetyl-CoA
809.1258
ReactionCatalysis138543
ACTIVATION
439161
PubChem-compound
937
ChemSpider
C01089
KEGG Compound
1.0
388353
ChemSpider
439153
PubChem-compound
Acetoacetyl-CoA
SMILES
O
Acetyl-CoA
SubPathwayInput
1.0
Pyruvate dehydrogenase E1 component subunit beta
Succinyl-CoA:3-ketoacid-coenzyme A transferase, mitochondrial
Acetyl-CoA acetyltransferase, mitochondrial
6816
PubChem-compound
CHEBI:15846
ChEBI
C3H4O3
Pyruvic acid
88.016045
C4H6O3
Acetoacetic acid
102.03169
1553-55-5
CAS
C4H8O3
(R)-3-Hydroxybutyric acid
104.04734
3-hydroxy-3-methylglutaryl coenzyme A synthase
1.0
CHEBI:15380
ChEBI
Q7K4Q9
UniProt
1038
PubChem-compound
C25H40N7O19P3S
Succinyl-CoA
867.1312
Pyruvic acid
C00332
KEGG Compound
GO:0005829
GENE ONTOLOGY
CHEBI:16908
ChEBI
(3S)-hydroxy-3-methylglutaryl-CoA
Acetyl-CoA
1.0
1.0
Succinyl-CoA:3-ketoacid-coenzyme A transferase, mitochondrial
24.0
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@@H](O)C(=O)NCCC(=O)NCCS
Drosophila melanogaster
ReactionCoupledTransportCatalysis519
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)NCCSC(=O)CCC(O)=O
Mitochondrial membrane
4.1.3.4
false
4.1.3.4
(3S)-hydroxy-3-methylglutaryl-CoA ↔ Acetoacetic acid + Acetyl-CoA
REVERSIBLE
1.1.1.239,1.1.1.62
false
1.1.1.239,1.1.1.62
(R)-3-Hydroxybutyric acid + NAD ↔ Acetoacetic acid + Hydrogen Ion + NADH
REVERSIBLE
CPD-335
BioCyc
Hydrogen Ion
SMILES
C[C@@H](O)CC(O)=O
Cytosol
C00356
KEGG Compound
SUC
BioCyc
58-68-4
CAS
Short-chain dehydrogenase/reductase
HMDB0001423
HMDB
Pyruvate dehydrogenase complex
ReactionCoupledTransport476
false
Acetyl-CoA ← Pyruvic acid
RIGHT_TO_LEFT
(3S)-hydroxy-3-methylglutaryl-CoA
94
ChemSpider
83181
ChemSpider
ReactionCatalysis202326
ACTIVATION
C00001
KEGG Compound
1.0
ReactionCatalysis202325
ACTIVATION
NADH
C00004
KEGG Compound
C00003
KEGG Compound
1031
ChemSpider
2.0
GO:0005759
GENE ONTOLOGY
Coenzyme A
Q9VM58
UniProt
CHEBI:15741
ChEBI
C21H27N7O14P2
NAD
663.10913
C00010
KEGG Compound
HMDB0000902
HMDB
PW123925
PathWhiz
1110
PubChem-compound
Hydrogen Ion
C25H40N7O18P3S
Acetoacetyl-CoA
851.13635
C21H29N7O14P2
NADH
665.12476
HMDB0001206
HMDB
C27H44N7O20P3S
(3S)-hydroxy-3-methylglutaryl-CoA
911.1575
C4H6O4
Succinic acid
118.02661
4.0
(R)-3-Hydroxybutyric acid
H
Hydrogen Ion
1.007825
388307
ChemSpider
ReactionCatalysis202300
ACTIVATION
C00022
KEGG Compound
53-84-9
CAS
C00024
KEGG Compound
HMDB0000243
HMDB
AT21758p
Q9W3N9
UniProt
1.0
3649
PubChem-compound
SMP0122611
SMPDB
LD24105p
2.3.3.10
false
2.3.3.10
Acetoacetyl-CoA + Acetyl-CoA + Water → (3S)-hydroxy-3-methylglutaryl-CoA + Coenzyme A + Hydrogen Ion
LEFT_TO_RIGHT
7227
TAXONOMY
3-KETOBUTYRATE
BioCyc
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
CHEBI:17066
ChEBI
5682
ChemSpider
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
HMDB0000254
HMDB
SMILES
CC(=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
Water
SMILES
OC(=O)CCC(O)=O
SubPathwayInteraction112732
SubPathway112732Reaction
SubPathwayReaction
SubPathwayInteraction112733
SubPathway112733Reaction
SubPathwayReaction
SubPathwayInteraction112734
SubPathway112734Reaction
SubPathwayReaction
SubPathwayInteraction112735
SubPathwayReaction
SubPathway112735Reaction
Mitochondrial Matrix
HMDB0000011
HMDB
Q9VM13
UniProt
CO-A
BioCyc
LD24105p
C00164
KEGG Compound
C00042
KEGG Compound
72-89-9
CAS
1078
ChemSpider
1.0
Coenzyme A
C21H36N7O16P3S
Coenzyme A
767.11523
604-98-8
CAS
1.0
Q9W058
UniProt
ACETOACETYL-COA
BioCyc
Succinyl-CoA
1.0
6557
ChemSpider
1.0
Q7K5K3
UniProt
Dihydrolipoyl dehydrogenase
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
2.8.3.5
false
2.8.3.5
Acetoacetic acid + Succinyl-CoA ↔ Acetoacetyl-CoA + Succinic acid
REVERSIBLE
HMDB0001487
HMDB
439214
PubChem-compound
127-17-3
CAS
Acetoacetyl-CoA
SubPathwayOutput
SubPathwayInput
1.0
HMDB0001484
HMDB
Synthesis and Degradation of Ketone Bodies
Q9VAH3
UniProt
2.3.1.9
false
2.3.1.9
2 Acetyl-CoA ↔ Acetoacetyl-CoA + Coenzyme A
REVERSIBLE
1.0
NAD
Acetyl-CoA
SMILES
CC(=O)C(O)=O
SMILES
CC(=O)CC(O)=O
3-Hydroxymethyl-3-methylglutaryl-CoA lyase, isoform A
3-hydroxy-3-methylglutaryl coenzyme A synthase
962
PubChem-compound
1.0
Acetoacetic acid
SubPathwayInput
392413
ChemSpider
1.0
Q9W4H7
UniProt
2.0
5893
PubChem-compound
C00080
KEGG Compound
110-15-6
CAS
SMILES
C[C@](O)(CC(O)=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
625-72-9
CAS
Fatty acid degradation
SubPathway
Butanoate metabolism
SubPathway
Glycolysis
SubPathway
92135
PubChem-compound
Pyruvate metabolism
SubPathway
60.0
1420-36-6
CAS
HMDB0002111
HMDB
CHEBI:32816
ChEBI
Pyruvate dehydrogenase E1 component subunit alpha
HMDB0001022
HMDB
CHEBI:15377
ChEBI
Pyruvate dehydrogenase E1 component subunit alpha
CHEBI:15378
ChEBI
SMILES
[H+]
Pyruvate dehydrogenase E1 component subunit beta
PYRUVATE
BioCyc
60.0
1.0
ReactionCatalysis202281
ACTIVATION
C00091
KEGG Compound
1.0
1.0
1.0
Succinyl-CoA:3-ketoacid-coenzyme A transferase, mitochondrial
HMDB0000060
HMDB
96
PubChem-compound
Dihydrolipoyl dehydrogenase
AT21758p
CHEBI:15344
ChEBI
CHEBI:15467
ChEBI
CHEBI:15345
ChEBI
444493
PubChem-compound
Succinic acid
Q9VVL7
UniProt
3-Hydroxymethyl-3-methylglutaryl-CoA lyase, isoform A
ACETYL-COA
BioCyc
Short-chain dehydrogenase/reductase
H2O
Water
18.010565
GO:0031966
GENE ONTOLOGY
541-50-4
CAS
60.0
3-METHYLBENZYLSUCCINYL-COA
BioCyc
NADH
BioCyc
NAD
BioCyc
1060
PubChem-compound
HMDB0059597
HMDB
CHEBI:15351
ChEBI
Acetyl-CoA
85-61-0
CAS