CHEBI:87282 - ethyl 4-oxobutanoate

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ChEBI Name ethyl 4-oxobutanoate
ChEBI ID CHEBI:87282
Definition A carboxylic ester obtained by the formal condensation of the carboxy group of succinic semialdehyde with ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H10O3
Net Charge 0
Average Mass 130.14180
Monoisotopic Mass 130.06299
InChI InChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h5H,2-4H2,1H3
InChIKey QFMPHCGACBODIJ-UHFFFAOYSA-N
SMILES CCOC(=O)CCC=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
3-ethoxycarbonylpropionaldehyde ChEBI
4-oxo-butanoic acid ethyl ester ChEBI
4-oxo-butyric acid ethyl ester ChEBI
ethyl 3-formylpropionate ChEBI
ethyl 4-oxobutyrate ChEBI
Registry Numbers Types Sources
10138-10-0 CAS Registry Number ChemIDplus
1756021 Reaxys Registry Number Reaxys
Last Modified
02 September 2015