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CHEBI:131199 - 2-ethylacetoacetic acid

ChEBI IDCHEBI:131199
ChEBI Name2-ethylacetoacetic acid
Stars
DefinitionA 3-oxo monocarboxylic acid that is butyric acid substituted at positions 2 and 3 by ethyl and oxo groups respectively.
Last Modified28 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILESCCC(C(C)=O)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-5(4(2)7)6(8)9/h5H,3H2,1-2H3,(H,8,9)
InChIKeyJWDSCUIQYJUHHM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS298)
- PubMed (26839171)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-ethylacetoacetic acid (CHEBI:131199) is a 3-oxo monocarboxylic acid (CHEBI:47881)
IUPAC Name 
2-ethyl-3-oxobutanoic acid
Synonyms  Source
2-acetylbutyric acidChEBI
2-acetylbutanoic acidChEBI
Registry NumbersSources
Reaxys:1756880Reaxys
CAS:4433-85-6ChemIDplus