6022
PubChem-compound
C2H4O2
Acetic acid
60.02113
C23H38N7O17P3S
Acetyl-CoA
809.1258
3-KETOBUTYRATE
BioCyc
C00033
KEGG Compound
CPD-8587
BioCyc
388353
ChemSpider
CHEBI:1146900
ChEBI
AMP
BioCyc
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
64-19-7
CAS
Acetoacetyl-CoA
83333
TAXONOMY
590-54-5
CAS
ACETYL-P
BioCyc
Pyrophosphate
C10H14N5O7P
Adenosine monophosphate
347.06308
HMDB0000250
HMDB
SMILES
[O-]P([O-])(=O)OP([O-])([O-])=O
HMDB0001341
HMDB
14000-31-8
CAS
2,3-Butanediol
CHEBI:16027
ChEBI
CO-A
BioCyc
HMDB0000538
HMDB
C00164
KEGG Compound
ATP
BioCyc
72-89-9
CAS
1.0
Coenzyme A
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Acetoacetic acid
1.0
C21H36N7O16P3S
Coenzyme A
767.11523
1.0
6816
PubChem-compound
559142
ChemSpider
ADP
BioCyc
SMILES
CC(=O)OP(O)(O)=O
C4H6O3
Acetoacetic acid
102.03169
6.0
ACETOACETYL-COA
BioCyc
1.0
CHEBI:15422
ChEBI
6557
ChemSpider
1.0
1.0
SMILES
CC(O)=O
5742
ChemSpider
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
C00332
KEGG Compound
61-19-8
CAS
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
Adenosine monophosphate
HMDB0001484
HMDB
1.0
5858
ChemSpider
C00227
KEGG Compound
C10H16N5O13P3
Adenosine triphosphate
506.99576
1.0
O4P
Phosphate
94.95342
Acetyl-CoA
CHEBI:16761
ChEBI
Acetic acid
Reaction108380
false
Acetyl-CoA + Phosphate → Acetylphosphate + Coenzyme A
LEFT_TO_RIGHT
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
Reaction108381
false
Acetylphosphate + Adenosine diphosphate → Acetic acid + Adenosine triphosphate
LEFT_TO_RIGHT
SMILES
CC(=O)CC(O)=O
Reaction108382
false
Acetic acid + Adenosine triphosphate + Coenzyme A → Acetyl-CoA + Adenosine monophosphate + Pyrophosphate
LEFT_TO_RIGHT
2.3.1.9
false
2.3.1.9
Acetoacetyl-CoA → Acetyl-CoA + Coenzyme A
LEFT_TO_RIGHT
Reaction108384
false
Acetoacetic acid + Acetyl-CoA → Acetic acid + Acetoacetyl-CoA
LEFT_TO_RIGHT
PPI
BioCyc
HMDB0001494
HMDB
HMDB0000042
HMDB
1.0
CHEBI:15366
ChEBI
1.0
392413
ChemSpider
5800
ChemSpider
Phosphate
1.0
Adenosine triphosphate
HMDB0001423
HMDB
SMILES
[O-]P([O-])([O-])=O
Escherichia coli (strain K12)
171
ChemSpider
1420-36-6
CAS
94
ChemSpider
C00009
KEGG Compound
C00008
KEGG Compound
14265-44-2
CAS
HMDB0001429
HMDB
58-64-0
CAS
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
CHEBI:18361
ChEBI
CHEBI:18367
ChEBI
1032
ChemSpider
C00002
KEGG Compound
ReactionCatalysis98495
ACTIVATION
ReactionCatalysis98493
ACTIVATION
ReactionCatalysis98494
ACTIVATION
ReactionCatalysis98491
ACTIVATION
PW064417
PathWhiz
ReactionCatalysis98492
ACTIVATION
HMDB0000060
HMDB
96
PubChem-compound
SMP0063456
SMPDB
CHEBI:15344
ChEBI
644102
PubChem-compound
CHEBI:15345
ChEBI
444493
PubChem-compound
6083
PubChem-compound
C00010
KEGG Compound
Unknown
186
PubChem-compound
C00013
KEGG Compound
4.0
O7P2
Pyrophosphate
173.91193
C25H40N7O18P3S
Acetoacetyl-CoA
851.13635
ACETYL-COA
BioCyc
HMDB0001206
HMDB
5957
PubChem-compound
541-50-4
CAS
1061
PubChem-compound
Unknown
acetate CoA-transferase
acetyl-CoA acetyltransferase
56-65-5
CAS
C00020
KEGG Compound
CHEBI:15351
ChEBI
CHEBI:15350
ChEBI
C00024
KEGG Compound
176
PubChem-compound
C2H5O5P
Acetylphosphate
139.98746
phosphate acetyltransferase / phosphate propionyltransferase
Adenosine diphosphate
C10H15N5O10P2
Adenosine diphosphate
427.02942
ACET
BioCyc
Acetylphosphate
85-61-0
CAS
181
ChemSpider