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CHEBI:131353 - 2-ethyl-3-ketopentanoic acid

ChEBI IDCHEBI:131353
ChEBI Name2-ethyl-3-ketopentanoic acid
Stars
DefinitionA 3-oxo monocarboxylic acid that is pentanoic acid substituted at positions 2 and 3 by ethyl and oxo substituents respectively.
Last Modified28 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC7H12O3
Net Charge0
Average Mass144.170
Monoisotopic Mass144.07864
SMILESCCC(=O)C(CC)C(=O)O
InChIInChI=1S/C7H12O3/c1-3-5(7(9)10)6(8)4-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeySDVJLFHTPKRNAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (26839171)
- MetaboLights (MTBLS298)
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-ethyl-3-ketopentanoic acid (CHEBI:131353) is a 3-oxo monocarboxylic acid (CHEBI:47881)
IUPAC Name 
2-ethyl-3-oxopentanoic acid
Synonyms  Source
2-ethyl-3-oxovaleric acidChEBI
2-propanoylbutyric acidChEBI
Registry NumbersSources
Reaxys:2429198Reaxys