CHEBI:131199 - 2-ethylacetoacetic acid

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ChEBI Name 2-ethylacetoacetic acid
ChEBI ID CHEBI:131199
Definition A 3-oxo monocarboxylic acid that is butyric acid substituted at positions 2 and 3 by ethyl and oxo groups respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H10O3
Net Charge 0
Average Mass 130.142
Monoisotopic Mass 130.06299
InChI InChI=1S/C6H10O3/c1-3-5(4(2)7)6(8)9/h5H,3H2,1-2H3,(H,8,9)
InChIKey JWDSCUIQYJUHHM-UHFFFAOYSA-N
SMILES O=C(C(CC)C(O)=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-ethylacetoacetic acid (CHEBI:131199) is a 3-oxo monocarboxylic acid (CHEBI:47881)
IUPAC Name
2-ethyl-3-oxobutanoic acid
Synonyms Sources
2-acetylbutanoic acid ChEBI
2-acetylbutyric acid ChEBI
Registry Numbers Types Sources
1756880 Reaxys Registry Number Reaxys
4433-85-6 CAS Registry Number ChemIDplus
Last Modified
28 July 2016