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CHEBI:27530 - 4-hydroxy-2-oxohexanoic acid

ChEBI IDCHEBI:27530
ChEBI Name4-hydroxy-2-oxohexanoic acid
Stars
DefinitionA hydroxy- and oxo- fatty acid comprising hexanoic acid substituted at C-2 and C-4 with oxo and hydroxy groups respectively.
Secondary ChEBI IDsCHEBI:1839, CHEBI:20376
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILESCCC(O)CC(=O)C(=O)O
InChIInChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)
InChIKeyALFQPWXBAWHVDP-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)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) has functional parent hexanoic acid (CHEBI:30776)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is a 2-oxo monocarboxylic acid (CHEBI:35910)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is a 4-hydroxy monocarboxylic acid (CHEBI:35970)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is a hydroxy fatty acid (CHEBI:24654)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is a oxo fatty acid (CHEBI:59644)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is conjugate acid of 4-hydroxy-2-oxohexanoate (CHEBI:53800)
Incoming Relation(s)
(S)-4-hydroxy-2-oxohexanoic acid (CHEBI:73151) is a 4-hydroxy-2-oxohexanoic acid (CHEBI:27530)
4-hydroxy-2-oxohexanoate (CHEBI:53800) is conjugate base of 4-hydroxy-2-oxohexanoic acid (CHEBI:27530)
IUPAC Name 
4-hydroxy-2-oxohexanoic acid
Synonyms  Source
4-Hydroxy-2-oxohexanoic acidKEGG COMPOUND
2-Oxo-4-hydroxycapronsäureChEBI
4-hydroxy-2-oxocaproic acidChEBI
4-Hydroxy-2-oxohexanoateKEGG COMPOUND
Manual XrefsDatabases
C06762KEGG COMPOUND
LMFA01050343LIPID MAPS
Registry NumbersSources
Reaxys:2637006Reaxys