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CHEBI:18322 - 6-oxohexanoate

Default Structure
ChEBI IDCHEBI:18322
ChEBI Name6-oxohexanoate
Stars
DefinitionA straight-chain fatty acid anion and the conjugate base of 6-oxohexanoic acid, formed by deprotonation of the carboxylic acid group.
Secondary ChEBI IDsCHEBI:12226, CHEBI:20749, CHEBI:22265
Last Modified13 November 2023
DownloadsMolfile
FormulaC6H9O3
Net Charge-1
Average Mass129.135
Monoisotopic Mass129.05572
SMILESO=CCCCCC(=O)[O-]
InChIInChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)/p-1
InChIKeyPNPPVRALIYXJBW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
6-oxohexanoate (CHEBI:18322) has functional parent hexanoate (CHEBI:17120)
6-oxohexanoate (CHEBI:18322) is a 6-oxo monocarboxylic acid anion (CHEBI:35976)
6-oxohexanoate (CHEBI:18322) is a aldehydic acid anion (CHEBI:71944)
6-oxohexanoate (CHEBI:18322) is a straight-chain fatty acid anion (CHEBI:59203)
6-oxohexanoate (CHEBI:18322) is a ω-oxo fatty acid anion (CHEBI:76309)
6-oxohexanoate (CHEBI:18322) is conjugate base of 6-oxohexanoic acid (CHEBI:2490)
Incoming Relation(s)
6-oxohexanoic acid (CHEBI:2490) is conjugate acid of 6-oxohexanoate (CHEBI:18322)
IUPAC Name 
6-oxohexanoate
Synonym  Source
adipate semialdehydeUM-BBD
UniProt Name  Source
6-oxohexanoateUniProt
Manual XrefsDatabases
6-OXO-HEXANOATEMetaCyc
c0112UM-BBD
c0112UM-BBD
C06102KEGG COMPOUND