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CHEBI:35177 - 2-oxohexanoate

ChEBI IDCHEBI:35177
ChEBI Name2-oxohexanoate
Stars
DefinitionA medium-chain fatty acid anion that is the conjugate base of 2-oxohexanoic acid.
Secondary ChEBI IDsCHEBI:11640, CHEBI:19752
Last Modified13 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H9O3
Net Charge-1
Average Mass129.135
Monoisotopic Mass129.05572
SMILESCCCCC(=O)C(=O)[O-]
InChIInChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)/p-1
InChIKeyXNIHZNNZJHYHLC-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-oxohexanoate (CHEBI:35177) has functional parent hexanoate (CHEBI:17120)
2-oxohexanoate (CHEBI:35177) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
2-oxohexanoate (CHEBI:35177) is a oxo fatty acid anion (CHEBI:59836)
2-oxohexanoate (CHEBI:35177) is conjugate base of 2-oxohexanoic acid (CHEBI:17308)
Incoming Relation(s)
2-oxohexanoic acid (CHEBI:17308) is conjugate acid of 2-oxohexanoate (CHEBI:35177)
IUPAC Name 
2-oxohexanoate
Synonyms  Source
2-ketocaproateChEBI
2-ketohexanoateChEBI
2-oxocaproateChEBI
2-OxohexanoateKEGG COMPOUND
UniProt Name  Source
2-oxohexanoateUniProt
Manual XrefsDatabases
C00902KEGG COMPOUND
Citations