388357
ChemSpider
C23H38N7O17P3S
Acetyl-CoA
809.1258
439161
PubChem-compound
C01089
KEGG Compound
937
ChemSpider
388353
ChemSpider
439153
PubChem-compound
SMILES
O
Succinic acid
C00207
KEGG Compound
1.0
PW000054
PathWhiz
PW000050
PathWhiz
Acetoacetyl-CoA
SubPathwayOutput
SubPathwayInput
6816
PubChem-compound
CHEBI:15846
ChEBI
1.0
Hydroxymethylglutaryl-CoA lyase, mitochondrial
C4H6O3
Acetoacetic acid
102.03169
Acetone
ReactionCatalysis178
ACTIVATION
2.0
1553-55-5
CAS
C4H8O3
(R)-3-Hydroxybutyric acid
104.04734
CHEBI:15380
ChEBI
C25H40N7O19P3S
Succinyl-CoA
867.1312
Acetyl-CoA
P35914
UniProt
C00332
KEGG Compound
Fatty Acid Metabolism
SubPathway
274
ChemSpider
Hydroxymethylglutaryl-CoA lyase, mitochondrial
Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial
67-64-1
CAS
CHEBI:16908
ChEBI
4.0
2.0
Acetyl-CoA
SubPathwayInput
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
Pyruvate Metabolism
SubPathway
Mitochondrion
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
1.0
PW000545
PathWhiz
CPD-335
BioCyc
3-Hydroxy-3-methylglutaryl-CoA
SubPathwayOutput
HMDB0001659
HMDB
SMILES
C[C@@H](O)CC(O)=O
C00356
KEGG Compound
SUC
BioCyc
58-68-4
CAS
HMDB0001423
HMDB
Water
124-38-9
CAS
94
ChemSpider
83181
ChemSpider
ReactionCatalysis182
ACTIVATION
C00001
KEGG Compound
SubPathwayInteraction81
SubPathway81Reaction
SubPathwayReaction
ReactionCatalysis183
ACTIVATION
C00004
KEGG Compound
SubPathwayInteraction84
SubPathway84Reaction
SubPathwayReaction
C00003
KEGG Compound
Acetyl-CoA acetyltransferase, mitochondrial
SubPathwayInteraction82
SubPathwayReaction
SubPathway82Reaction
SMP0000051
SMPDB
P24752
UniProt
CHEBI:15741
ChEBI
Acetone
C21H27N7O14P2
NAD
663.10913
C00011
KEGG Compound
SMILES
O=C=O
C00010
KEGG Compound
HMDB0000902
HMDB
P55809
UniProt
1110
PubChem-compound
Extracellular Space
C25H40N7O18P3S
Acetoacetyl-CoA
851.13635
SMP0000060
SMPDB
Succinyl-CoA
C21H29N7O14P2
NADH
665.12476
3-HYDROXY-3-METHYL-GLUTARYL-COA
BioCyc
HMDB0001206
HMDB
1.1.1.30
false
1.1.1.30
(R)-3-Hydroxybutyric acid + NAD ↔ Acetoacetic acid + NADH
REVERSIBLE
C4H6O4
Succinic acid
118.02661
388307
ChemSpider
1.0
53-84-9
CAS
C00024
KEGG Compound
Steroid Biosynthesis
SubPathway
1.0
GO:0005739
GENE ONTOLOGY
1.0
GO:0005615
GENE ONTOLOGY
1.0
GO:0005737
GENE ONTOLOGY
SMILES
CC(C)=O
1.0
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
1.0
Transport26
false
Acetone (→) Transport: Homo sapiens, Cell, Cytoplasm to Homo sapiens, Extracellular Space
LEFT_TO_RIGHT
Transport25
false
Acetone (→) Transport: Homo sapiens, Cell, Mitochondrion to Homo sapiens, Cell, Cytoplasm
LEFT_TO_RIGHT
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
SMILES
OC(=O)CCC(O)=O
1.0
1.0
Acetoacetic acid
HMDB0000011
HMDB
Acetone
CO-A
BioCyc
Acetyl-CoA acetyltransferase, mitochondrial
SubPathwayInteraction110302
SubPathwayReaction
SubPathway110302Reaction
C00164
KEGG Compound
C00042
KEGG Compound
72-89-9
CAS
1078
ChemSpider
Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial
Carbon dioxide
C21H36N7O16P3S
Coenzyme A
767.11523
604-98-8
CAS
D-beta-hydroxybutyrate dehydrogenase, mitochondrial
Succinyl CoA: 3-Ketoacid CoA Transferase Deficiency
Cytoplasm
ACETOACETYL-COA
BioCyc
Reaction817
true
Acetoacetic acid → Acetone + Carbon dioxide
LEFT_TO_RIGHT
Coenzyme A
6557
ChemSpider
Homo sapiens
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
388299
ChemSpider
7732-18-5
CAS
C27H44N7O20P3S
3-Hydroxy-3-methylglutaryl-CoA
911.1575
(R)-3-Hydroxybutyric acid
NAD
HMDB0001487
HMDB
439214
PubChem-compound
SMP0000023
SMPDB
HMDB0001484
HMDB
439218
PubChem-compound
CHEBI:16526
ChEBI
SMILES
CC(=O)CC(O)=O
NADH
HMDB0001375
HMDB
9606
TAXONOMY
962
PubChem-compound
PW000023
PathWhiz
SMP0000569
SMPDB
392413
ChemSpider
CO2
Carbon dioxide
43.98983
Q02338
UniProt
5893
PubChem-compound
110-15-6
CAS
2.0
625-72-9
CAS
D-beta-hydroxybutyrate dehydrogenase, mitochondrial
92135
PubChem-compound
175
ChemSpider
1420-36-6
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
HMDB0002111
HMDB
HMDB0001022
HMDB
CHEBI:15377
ChEBI
4.0
1.0
D-beta-hydroxybutyrate dehydrogenase, mitochondrial
C00091
KEGG Compound
280
PubChem-compound
Acetyl-CoA acetyltransferase, mitochondrial
C3H6O
Acetone
58.041866
HMDB0000060
HMDB
96
PubChem-compound
2.8.3.5
false
2.8.3.5
Acetoacetic acid + Succinyl-CoA ↔ Acetoacetyl-CoA + Succinic acid
REVERSIBLE
4.1.3.4
false
4.1.3.4
3-Hydroxy-3-methylglutaryl-CoA → Acetoacetic acid + Acetyl-CoA
LEFT_TO_RIGHT
2.3.1.9
false
2.3.1.9
2 Acetyl-CoA ↔ Acetoacetyl-CoA + Coenzyme A
REVERSIBLE
Reaction682
false
Acetoacetyl-CoA + Acetyl-CoA + Water → 3-Hydroxy-3-methylglutaryl-CoA + Coenzyme A
LEFT_TO_RIGHT
CHEBI:15344
ChEBI
3-oxoacid CoA-transferase 1
CHEBI:15467
ChEBI
CHEBI:15345
ChEBI
444493
PubChem-compound
CHEBI:15347
ChEBI
1.0
ACETYL-COA
BioCyc
H2O
Water
18.010565
541-50-4
CAS
1.0
3-METHYLBENZYLSUCCINYL-COA
BioCyc
NADH
BioCyc
NAD
BioCyc
ReactionCatalysis364
ACTIVATION
HMDB0001967
HMDB
CHEBI:15351
ChEBI
Hydroxymethylglutaryl-CoA lyase, mitochondrial
180
PubChem-compound
85-61-0
CAS
1.0