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CHEBI:53800 - 4-hydroxy-2-oxohexanoate

Default Structure
ChEBI IDCHEBI:53800
ChEBI Name4-hydroxy-2-oxohexanoate
Stars
DefinitionA medium-chain fatty acid anion comprising hexanoate substituted at C-2 and C-4 with oxo and hydroxy groups respectively.
Last Modified11 April 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H9O4
Net Charge-1
Average Mass145.134
Monoisotopic Mass145.05063
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)/p-1
InChIKeyALFQPWXBAWHVDP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-2-oxohexanoate (CHEBI:53800) has functional parent hexanoate (CHEBI:17120)
4-hydroxy-2-oxohexanoate (CHEBI:53800) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
4-hydroxy-2-oxohexanoate (CHEBI:53800) is a hydroxy fatty acid anion (CHEBI:59835)
4-hydroxy-2-oxohexanoate (CHEBI:53800) is a medium-chain fatty acid anion (CHEBI:59558)
4-hydroxy-2-oxohexanoate (CHEBI:53800) is a oxo fatty acid anion (CHEBI:59836)
4-hydroxy-2-oxohexanoate (CHEBI:53800) is a straight-chain saturated fatty acid anion (CHEBI:58954)
4-hydroxy-2-oxohexanoate (CHEBI:53800) is conjugate base of 4-hydroxy-2-oxohexanoic acid (CHEBI:27530)
Incoming Relation(s)
(S)-4-hydroxy-2-oxohexanoate (CHEBI:73142) is a 4-hydroxy-2-oxohexanoate (CHEBI:53800)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is conjugate acid of 4-hydroxy-2-oxohexanoate (CHEBI:53800)
IUPAC Name 
4-hydroxy-2-oxohexanoate
UniProt Name  Source
4-hydroxy-2-oxohexanoateUniProt
Manual XrefsDatabases
c0206UM-BBD
C06762KEGG COMPOUND