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CHEBI:17308 - 2-oxohexanoic acid

ChEBI IDCHEBI:17308
ChEBI Name2-oxohexanoic acid
Stars
DefinitionA straight-chain fatty acid consisting of hexanoic acid having an oxo group at position 2.
Secondary ChEBI IDCHEBI:1256
Last Modified23 October 2015
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILESCCCCC(=O)C(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyXNIHZNNZJHYHLC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS90)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
2-oxohexanoic acid (CHEBI:17308) has functional parent hexanoic acid (CHEBI:30776)
2-oxohexanoic acid (CHEBI:17308) has role human blood serum metabolite (CHEBI:85234)
2-oxohexanoic acid (CHEBI:17308) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-oxohexanoic acid (CHEBI:17308) is a medium-chain fatty acid (CHEBI:59554)
2-oxohexanoic acid (CHEBI:17308) is a oxo fatty acid (CHEBI:59644)
2-oxohexanoic acid (CHEBI:17308) is a straight-chain fatty acid (CHEBI:59202)
2-oxohexanoic acid (CHEBI:17308) is conjugate acid of 2-oxohexanoate (CHEBI:35177)
Incoming Relation(s)
2-oxohexanoate (CHEBI:35177) is conjugate base of 2-oxohexanoic acid (CHEBI:17308)
IUPAC Name 
2-oxohexanoic acid
Synonyms  Source
2-Oxohexanoic acidKEGG COMPOUND
2-keto-n-caproic acidLIPID MAPS
α-ketohexanoic acidChEBI
α-ketocaproic acidChemIDplus
2-ketohexanoic acidChEBI
2-oxo C6:0ChEBI
Manual XrefsDatabases
C00902KEGG COMPOUND
LMFA01060007LIPID MAPS
Registry NumbersSources
Reaxys:1749831Reaxys
CAS:2492-75-3ChemIDplus
CAS:2492-75-3KEGG COMPOUND
Citations