CHEBI:18119 - ethyl 3-oxohexanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ethyl 3-oxohexanoate
ChEBI ID CHEBI:18119
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4894, CHEBI:23988, CHEBI:14227
Supplier Information
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Formula C8H14O3
Net Charge 0
Average Mass 158.19496
Monoisotopic Mass 158.09429
InChI InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N
SMILES CCCC(=O)CC(=O)OCC
ChEBI Ontology
Outgoing 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 Sources
Ethyl 3-oxohexanoate KEGG COMPOUND
ethyl 3-oxohexanoate UniProt
Ethyl butyrylacetate KEGG COMPOUND
Manual Xref Database
C02975 KEGG COMPOUND
View more database links
Registry Number Type Source
3249-68-1 CAS Registry Number KEGG COMPOUND
Last Modified
13 November 2017