Universal:acac
acetoacetate
Default Component
acac:-1
- acetoacetate
- Charge: -1
- Formula: C4H5O3
CHEBI:13705
- acetoacetate
- Type: Small Molecule
- InChiKey: WDJHALXBUFZDSR-UHFFFAOYSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 101.0807[0], 101.0[1]
- SMILES: CC(=O)CC(=O)[O-][0,1]
- Names: 3-oxobutanoate[0], Acetoacetate[0,1], Butanoic acid, 3-oxo-, ion(1-)[0], Acetoacetate ion(1-)[0], acetoacetate[0,1], 3-Oxobutanoic acid[1], 3-ketobutyrate[1], 3-oxobutanate[1], 3-oxobutanoic acid[1], 3-oxobutyric acid[1], Acetoacetic acid[1], acetoacetic acid[1], beta-Ketobutyric acid[1], beta-ketobutyric acid[1], diacetic acid[1], oxobutyrate[1]
Linkouts
- CHEBI: CHEBI:13705 [0]
- KEGG Compound: C00164 [0,1]
- MetaCyc Compound: 3-KETOBUTYRATE [0,1]
- SEED Compound: cpd00142 [1]
- MetaNetX Chemical: MNXM154 [1]
Alternative Component
acac:0
- 3-hydroxy-3-butenoic acid
- Charge: 0
- Formula: C4H6O3
- acetoacetic acid
- Type: Small Molecule
- InChiKey: WDJHALXBUFZDSR-UHFFFAOYSA-N
- View on ChEBI
- 3-hydroxy-3-butenoic acid
- Type: Small Molecule
- InChiKey: YMXHTKKMLXGXDC-UHFFFAOYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 102.08864[0], 102.089[1]
- SMILES: CC(=O)CC(=O)O[0], C=C(O)CC(=O)O[1]
- Names: 3-Oxobutanoic acid[0], beta-Ketobutyric acid[0], Acetoacetic acid[0], 3-oxobutanoic acid[0], 3-Oxobutyric acid[0], 3-Ketobutyric acid[0], 3-ketobutanoic acid[0], 3-hydroxybut-3-enoic acid[1]
Linkouts
- CHEBI: CHEBI:15344 [0], CHEBI:131367 [1]
- KEGG Compound: C00164 [0]
- Wikipedia: Acetoacetic_acid [0]
- DrugBank: DB01762 [0]
- HMDB: HMDB0000060 [0]
- MetaCyc Compound: 3-KETOBUTYRATE [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |