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CHEBI:18119 - ethyl 3-oxohexanoate

Default Structure
ChEBI IDCHEBI:18119
ChEBI Nameethyl 3-oxohexanoate
Stars
Secondary ChEBI IDsCHEBI:4894, CHEBI:14227, CHEBI:23988
Last Modified13 November 2017
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCCCC(=O)CC(=O)OCC
InChIInChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChIKeyKQWWVLVLVYYYDT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 3-oxohexanoate (CHEBI:18119) has functional parent 3-oxohexanoic acid (CHEBI:28422)
ethyl 3-oxohexanoate (CHEBI:18119) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl 3-oxohexanoate
Synonyms  Source
Ethyl 3-oxohexanoateKEGG COMPOUND
Ethyl butyrylacetateKEGG COMPOUND
UniProt Name  Source
ethyl 3-oxohexanoateUniProt
Manual XrefsDatabases
C02975KEGG COMPOUND
C02975KEGG COMPOUND
Registry NumbersSources
CAS:3249-68-1KEGG COMPOUND