CHEBI:28422 - 3-oxohexanoic acid

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ChEBI Name 3-oxohexanoic acid
ChEBI ID CHEBI:28422
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1640, CHEBI:20171
Supplier Information
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Formula C6H10O3
Net Charge 0
Average Mass 130.14180
Monoisotopic Mass 130.063
InChI InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey BDCLDNALSPBWPQ-UHFFFAOYSA-N
SMILES CCCC(=O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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)
N-(3-oxohexanoyl)homoserine lactone (CHEBI:29640) 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 Sources
3-Oxohexanoate KEGG COMPOUND
3-Oxohexanoic acid KEGG COMPOUND
Database Links Databases
C02122 KEGG COMPOUND
LMFA01060008 LIPID MAPS
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Last Modified
28 July 2014