ethyl acetoacetate (CHEBI:4893)

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ChEBI Name	ethyl acetoacetate

ChEBI ID	CHEBI:4893

Definition	An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C6H10O3

Net Charge

Average Mass

130.143

Monoisotopic Mass

130.06299

InChI

InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3

InChIKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

SMILES

CCOC(=O)CC(C)=O

Metabolite of Species	Details
Carica pentagona (IPNI:320148-2)	See: PubMed

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	ethyl acetoacetate (CHEBI:4893) has functional parent acetoacetic acid (CHEBI:15344) ethyl acetoacetate (CHEBI:4893) has role antibacterial agent (CHEBI:33282) ethyl acetoacetate (CHEBI:4893) has role flavouring agent (CHEBI:35617) ethyl acetoacetate (CHEBI:4893) has role plant metabolite (CHEBI:76924) ethyl acetoacetate (CHEBI:4893) is a ethyl ester (CHEBI:23990)

IUPAC Name

ethyl 3-oxobutanoate

Synonyms	Sources
1-ethoxybutane-1,3-dione	ChemIDplus
3-ketobutyric acid ethyl ester	ChEBI
3-oxobutanoic acid ethyl ester	ChemIDplus
3-oxobutyric acid ethyl ester	ChEBI
acetoacetic acid ethyl ester	ChemIDplus
active acetyl acetate	MetaCyc
diacetic ether	MetaCyc
ethyl 3-oxidanylidenebutanoate	PDBeChem
ethyl 3-oxobutanoate	ChemIDplus
ethyl 3-oxobutanoate	UniProt
ethyl 3-oxobutyrate	ChemIDplus
ethyl acetyl acetate	ChemIDplus
ethyl acetylacetate	ChemIDplus
ethyl acetylacetonate	ChemIDplus
ethyl β-ketobutyrate	ChemIDplus

Last Modified

05 August 2021