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CHEBI:87390 - 3-oxobutyl acetate

ChEBI IDCHEBI:87390
ChEBI Name3-oxobutyl acetate
Stars
DefinitionAn acetate ester that is butyl acetate substituted by an oxo group at position 3.
Last Modified28 August 2015
Submitternamrata
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILESCC(=O)CCOC(C)=O
InChIInChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3
InChIKeyNWCYECXHIYEBJE-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-oxobutyl acetate (CHEBI:87390) has functional parent butyl acetate (CHEBI:31328)
3-oxobutyl acetate (CHEBI:87390) has role metabolite (CHEBI:25212)
3-oxobutyl acetate (CHEBI:87390) is a acetate ester (CHEBI:47622)
IUPAC Name 
3-oxobutyl acetate
Registry NumbersSources
Reaxys:1754095Reaxys