CHEBI:13705 - acetoacetate

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ChEBI Name acetoacetate
ChEBI ID CHEBI:13705
Definition A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C4H5O3
Net Charge -1
Average Mass 101.08070
Monoisotopic Mass 101.024
InChI InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1
InChIKey WDJHALXBUFZDSR-UHFFFAOYSA-M
SMILES CC(=O)CC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acetoacetate (CHEBI:13705) has functional parent butyrate (CHEBI:17968)
acetoacetate (CHEBI:13705) has role human metabolite (CHEBI:77746)
acetoacetate (CHEBI:13705) is a 3-oxo fatty acid anion (CHEBI:133292)
acetoacetate (CHEBI:13705) is conjugate base of acetoacetic acid (CHEBI:15344)
Incoming acetoacetic acid (CHEBI:15344) is conjugate acid of acetoacetate (CHEBI:13705)
IUPAC Name
3-oxobutanoate
Synonyms Sources
acetoacetate UniProt
Acetoacetate KEGG COMPOUND
Acetoacetate ion(1-) ChemIDplus
Butanoic acid, 3-oxo-, ion(1-) ChemIDplus
Database Links Databases
3-KETOBUTYRATE MetaCyc
C00164 KEGG COMPOUND
c0069 UM-BBD
View more database links
Registry Numbers Types Sources
141-81-1 CAS Registry Number ChemIDplus
4128534 Reaxys Registry Number Reaxys
4128534 Beilstein Registry Number Beilstein
Last Modified
06 February 2017