Acyl-coenzyme A synthetase ACSM1, mitochondrial
388357
ChemSpider
C4H8O2
Butyric acid
88.05243
C23H38N7O17P3S
Acetyl-CoA
809.1258
439161
PubChem-compound
937
ChemSpider
Adenosine triphosphate
1.0
Butyric acid
388353
ChemSpider
259
ChemSpider
439153
PubChem-compound
SMILES
O
Enoyl-CoA hydratase, mitochondrial
C10H14N5O7P
Adenosine monophosphate
347.06308
CHEBI:16027
ChEBI
CHEBI:57371
ChEBI
HMDB0000538
HMDB
ATP
BioCyc
6816
PubChem-compound
559142
ChemSpider
CHEBI:15846
ChEBI
102680-35-3
CAS
C4H6O3
Acetoacetic acid
102.03169
ReactionCatalysis177
ACTIVATION
ReactionCatalysis178
ACTIVATION
1.0
1553-55-5
CAS
ReactionCatalysis175
ACTIVATION
ReactionCatalysis176
ACTIVATION
CHEBI:15380
ChEBI
5280381
PubChem-compound
5742
ChemSpider
1038
PubChem-compound
C25H40N7O19P3S
Succinyl-CoA
867.1312
265
PubChem-compound
P35914
UniProt
Intestinal Microflora
SubPathway
C00332
KEGG Compound
264
PubChem-compound
440045
PubChem-compound
C25H40N7O17P3S
Crotonoyl-CoA
835.1414
Hydroxymethylglutaryl-CoA lyase, mitochondrial
Reduced electron-transfer flavoprotein
Butyryl-CoA
CHEBI:16908
ChEBI
HMDB0001088
HMDB
5858
ChemSpider
4.0
CHEBI:30772
ChEBI
1010
ChemSpider
Enoyl-CoA hydratase, mitochondrial
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
1.0
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial
PPI
BioCyc
260
ChemSpider
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
electron-transfer flavoprotein
P16219
UniProt
C00356
KEGG Compound
CHEBI:5086
ChEBI
4444072
ChemSpider
SUC
BioCyc
58-68-4
CAS
Short-chain specific acyl-CoA dehydrogenase, mitochondrial
HMDB0001423
HMDB
Adenosine monophosphate
1.0
SMILES
C\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
94
ChemSpider
P30084
UniProt
2.0
2.0
Acetyl-CoA acetyltransferase, mitochondrial
ReactionCatalysis185
ACTIVATION
C00001
KEGG Compound
1.0
ReactionCatalysis182
ACTIVATION
ReactionCatalysis183
ACTIVATION
CHEBI:18361
ChEBI
NADH
CPD-1083
BioCyc
C00004
KEGG Compound
C00246
KEGG Compound
C00003
KEGG Compound
Acetyl-CoA acetyltransferase, mitochondrial
C00002
KEGG Compound
1.0
4.0
2.0
GO:0005759
GENE ONTOLOGY
Pyrophosphate
P24752
UniProt
Coenzyme A
Q08AH1
UniProt
SMILES
C[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
CHEBI:15741
ChEBI
C21H27N7O14P2
NAD
663.10913
C00010
KEGG Compound
HMDB0000902
HMDB
C00136
KEGG Compound
P55809
UniProt
1110
PubChem-compound
Hydrogen Ion
C00013
KEGG Compound
1.0
H4O7P2
Pyrophosphate
177.94322
C25H40N7O18P3S
Acetoacetyl-CoA
851.13635
C21H29N7O14P2
NADH
665.12476
3-HYDROXY-3-METHYL-GLUTARYL-COA
BioCyc
HMDB0001206
HMDB
5957
PubChem-compound
C4H6O4
Succinic acid
118.02661
H
Hydrogen Ion
1.007825
C25H42N7O17P3S
Butyryl-CoA
837.15704
3-oxoacid CoA-transferase 1
388307
ChemSpider
56-65-5
CAS
53-84-9
CAS
C00020
KEGG Compound
C00024
KEGG Compound
SMP0000073
SMPDB
1.0
Short-chain specific acyl-CoA dehydrogenase, mitochondrial
GO:0005739
GENE ONTOLOGY
SMP0000071
SMPDB
1.0
GO:0005737
GENE ONTOLOGY
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial
Hydroxymethylglutaryl-CoA lyase, mitochondrial
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
electron-transfer flavoprotein
1.0
2-METHYL-3-HYDROXY-BUTYRYL-COA
BioCyc
5682
ChemSpider
Short-chain specific acyl-CoA dehydrogenase, mitochondrial
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
Reduced electron-transfer flavoprotein
CHEBI:1146900
ChEBI
HMDB0000254
HMDB
2871-66-1
CAS
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
AMP
BioCyc
Mitochondrial Matrix
HMDB0000250
HMDB
SMILES
OP(O)(=O)OP(O)(O)=O
14000-31-8
CAS
CO-A
BioCyc
Transport13
false
Butyric acid (→) Transport: Homo sapiens, Cell, Cytoplasm to Homo sapiens, Cell, Mitochondrial Matrix
LEFT_TO_RIGHT
C00164
KEGG Compound
C00042
KEGG Compound
72-89-9
CAS
1078
ChemSpider
Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial
CPD-12174
BioCyc
CHEBI:15452
ChEBI
1.0
389056
ChemSpider
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
C03561
KEGG Compound
C21H36N7O16P3S
Coenzyme A
767.11523
604-98-8
CAS
Cytoplasm
3-Hydroxybutyryl-CoA
Q16836
UniProt
ACETOACETYL-COA
BioCyc
Succinyl-CoA
CHEBI:15422
ChEBI
6557
ChemSpider
1.0
Homo sapiens
SMILES
CCCC(O)=O
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
Crotonoyl-CoA
HMDB0001487
HMDB
C27H44N7O20P3S
3-Hydroxy-3-methylglutaryl-CoA
911.1575
61-19-8
CAS
2140-48-9
CAS
2.0
SMILES
NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
439214
PubChem-compound
1.0
HMDB0000039
HMDB
1.0
Acetoacetyl-CoA
1.0
HMDB0001484
HMDB
439218
PubChem-compound
1.0
C10H16N5O13P3
Adenosine triphosphate
506.99576
Butyric acid
SubPathwayInput
NAD
Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial
HMDB0000045
HMDB
SMILES
CC(=O)CC(O)=O
Acyl-coenzyme A synthetase ACSM1, mitochondrial
HMDB0001375
HMDB
9606
TAXONOMY
962
PubChem-compound
C00877
KEGG Compound
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial
1.0
Acetoacetic acid
SubPathwayInput
PW000028
PathWhiz
1.3.8.1
false
1.3.8.1
Butyryl-CoA + electron-transfer flavoprotein ↔ Crotonoyl-CoA + Reduced electron-transfer flavoprotein
REVERSIBLE
4.2.1.17
false
4.2.1.17
3-Hydroxybutyryl-CoA ↔ Crotonoyl-CoA + Water
REVERSIBLE
392413
ChemSpider
3-Hydroxy-3-methylglutaryl-CoA
C25H42N7O18P3S
3-Hydroxybutyryl-CoA
853.152
5893
PubChem-compound
C00080
KEGG Compound
110-15-6
CAS
Water
Butyrate Metabolism
Ketone Body Metabolism
SubPathway
Enoyl-CoA hydratase, mitochondrial
HMDB0002111
HMDB
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
Butyryl-CoA
SubPathwayInteraction870
SubPathway870Reaction
SubPathwayReaction
HMDB0001022
HMDB
Hydroxymethylglutaryl-CoA lyase, mitochondrial
CHEBI:15377
ChEBI
CHEBI:15378
ChEBI
SMILES
[H+]
PW000014
PathWhiz
1.0
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
1.0
6.0
1.1.1.35
false
1.1.1.35
3-Hydroxybutyryl-CoA + NAD → Acetoacetyl-CoA + Hydrogen Ion + NADH
LEFT_TO_RIGHT
C00091
KEGG Compound
HMDB0002009
HMDB
1.0
HMDB0000060
HMDB
6.2.1.2
false
6.2.1.2
Adenosine triphosphate + Butyric acid + Coenzyme A → Adenosine monophosphate + Butyryl-CoA + Pyrophosphate
LEFT_TO_RIGHT
2.8.3.5
false
2.8.3.5
Acetoacetic acid + Succinyl-CoA ↔ Acetoacetyl-CoA + Succinic acid
REVERSIBLE
96
PubChem-compound
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
CHEBI:15467
ChEBI
CHEBI:15345
ChEBI
644102
PubChem-compound
444493
PubChem-compound
Succinic acid
6083
PubChem-compound
Crotonoyl-CoA
ACETYL-COA
BioCyc
H2O
Water
18.010565
1.0
541-50-4
CAS
NADH
BioCyc
3-METHYLBENZYLSUCCINYL-COA
BioCyc
HMDB0001166
HMDB
NAD
BioCyc
1.0
Acetyl-CoA acetyltransferase, mitochondrial
HMDB0059597
HMDB
CHEBI:15351
ChEBI
CHEBI:15473
ChEBI
Acetyl-CoA
85-61-0
CAS
SubPathwayInteraction17
SubPathway17Reaction
SubPathwayReaction