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CHEBI:176689 - 2-oxooctanoate

ChEBI IDCHEBI:176689
ChEBI Name2-oxooctanoate
Stars
DefinitionA 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxooctanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified5 July 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H13O3
Net Charge-1
Average Mass157.189
Monoisotopic Mass157.08702
SMILESCCCCCCC(=O)C(=O)[O-]
InChIInChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)/p-1
InChIKeyGPPUPQFYDYLTIY-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-oxooctanoate (CHEBI:176689) has functional parent octanoate (CHEBI:25646)
2-oxooctanoate (CHEBI:176689) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
2-oxooctanoate (CHEBI:176689) is conjugate base of 2-oxooctanoic acid (CHEBI:173668)
Incoming Relation(s)
2-oxooctanoic acid (CHEBI:173668) is conjugate acid of 2-oxooctanoate (CHEBI:176689)
IUPAC Name 
2-oxooctanoate
Synonyms  Source
2-keto-n-caprylateChEBI
2-oxocaprylateChEBI
2-oxo-octanoateChEBI
α-ketooctanoateMetaCyc
UniProt Name  Source
2-oxooctanoateUniProt
Manual XrefsDatabases
CPD-17975MetaCyc
Citations