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CHEBI:28422 - 3-oxohexanoic acid

ChEBI IDCHEBI:28422
ChEBI Name3-oxohexanoic acid
Stars
Secondary ChEBI IDsCHEBI:1640, CHEBI:20171
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILESCCCC(=O)CC(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyBDCLDNALSPBWPQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-oxohexanoic acid (CHEBI:28422) has functional parent hexanoic acid (CHEBI:30776)
3-oxohexanoic acid (CHEBI:28422) is a 3-oxo monocarboxylic acid (CHEBI:47881)
Incoming Relation(s)
N-(3-oxohexanoyl)homoserine lactone (CHEBI:29640) has functional parent 3-oxohexanoic acid (CHEBI:28422)
3-oxohexanoyl-CoA (CHEBI:27648) has functional parent 3-oxohexanoic acid (CHEBI:28422)
6-acetamido-3-oxohexanoic acid (CHEBI:2165) has functional parent 3-oxohexanoic acid (CHEBI:28422)
ethyl 3-oxohexanoate (CHEBI:18119) has functional parent 3-oxohexanoic acid (CHEBI:28422)
IUPAC Name 
3-oxohexanoic acid
Synonyms  Source
3-Oxohexanoic acidKEGG COMPOUND
3-OxohexanoateKEGG COMPOUND
Manual XrefsDatabases
C02122KEGG COMPOUND
LMFA01060008LIPID MAPS