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CHEBI:87282 - ethyl 4-oxobutanoate

Default Structure
ChEBI IDCHEBI:87282
ChEBI Nameethyl 4-oxobutanoate
Stars
DefinitionA carboxylic ester obtained by the formal condensation of the carboxy group of succinic semialdehyde with ethanol.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILES[H]C(=O)CCC(=O)OCC
InChIInChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h5H,2-4H2,1H3
InChIKeyQFMPHCGACBODIJ-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)
ethyl 4-oxobutanoate (CHEBI:87282) has functional parent ethanol (CHEBI:16236)
ethyl 4-oxobutanoate (CHEBI:87282) has functional parent succinic semialdehyde (CHEBI:16265)
ethyl 4-oxobutanoate (CHEBI:87282) has role metabolite (CHEBI:25212)
ethyl 4-oxobutanoate (CHEBI:87282) is a aldehyde (CHEBI:17478)
ethyl 4-oxobutanoate (CHEBI:87282) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
ethyl 4-oxobutanoate
Synonyms  Source
3-ethoxycarbonylpropionaldehydeChEBI
4-oxo-butanoic acid ethyl esterChEBI
4-oxo-butyric acid ethyl esterChEBI
ethyl 3-formylpropionateChEBI
ethyl 4-oxobutyrateChEBI
Registry NumbersSources
Reaxys:1756021Reaxys
CAS:10138-10-0ChemIDplus