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CHEBI:12154 - 5-oxohexanoate

ChEBI IDCHEBI:12154
ChEBI Name5-oxohexanoate
Stars
DefinitionAn oxo fatty acid anion that is the conjugate base of 5-oxohexanoic acid, arising from deprotonation of the carboxy group.
Last Modified13 November 2017
DownloadsMolfile
FormulaC6H9O3
Net Charge-1
Average Mass129.135
Monoisotopic Mass129.05572
SMILESCC(=O)CCCC(=O)[O-]
InChIInChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)/p-1
InChIKeyMGTZCLMLSSAXLD-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-oxohexanoate (CHEBI:12154) has functional parent hexanoate (CHEBI:17120)
5-oxohexanoate (CHEBI:12154) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
5-oxohexanoate (CHEBI:12154) is a medium-chain fatty acid anion (CHEBI:59558)
5-oxohexanoate (CHEBI:12154) is a oxo fatty acid anion (CHEBI:59836)
5-oxohexanoate (CHEBI:12154) is conjugate base of 5-oxohexanoic acid (CHEBI:15888)
Incoming Relation(s)
5-oxohexanoic acid (CHEBI:15888) is conjugate acid of 5-oxohexanoate (CHEBI:12154)
IUPAC Name 
5-oxohexanoate
Synonyms  Source
4-acetylbutyrateChEBI
5-ketocaproateChEBI
5-ketohexanoateChEBI
δ-ketocaproateChEBI
δ-oxocaproateChEBI
γ-acetylbutyrateChEBI
UniProt Name  Source
5-oxohexanoateUniProt