CHEBI:2490 - 6-oxohexanoic acid

ChEBI IDCHEBI:2490
ChEBI Name6-oxohexanoic acid
Stars
DefinitionA medium-chain fatty acid comprising hexanoic acid carrying an oxo group at position 6.
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILESO=CCCCCC(=O)O
InChIInChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)
InChIKeyPNPPVRALIYXJBW-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)
6-oxohexanoic acid (CHEBI:2490) has functional parent hexanoic acid (CHEBI:30776)
6-oxohexanoic acid (CHEBI:2490) is a 6-oxo monocarboxylic acid (CHEBI:35960)
6-oxohexanoic acid (CHEBI:2490) is a aldehydic acid (CHEBI:26643)
6-oxohexanoic acid (CHEBI:2490) is a medium-chain fatty acid (CHEBI:59554)
6-oxohexanoic acid (CHEBI:2490) is a straight-chain fatty acid (CHEBI:59202)
6-oxohexanoic acid (CHEBI:2490) is a ω-oxo fatty acid (CHEBI:76328)
6-oxohexanoic acid (CHEBI:2490) is conjugate acid of 6-oxohexanoate (CHEBI:18322)
Incoming Relation(s)
6-oxohexanoate (CHEBI:18322) is conjugate base of 6-oxohexanoic acid (CHEBI:2490)
IUPAC Name 
6-oxohexanoic acid
Synonyms  Source
1-hexanal-6-carboxylic acidChEBI
5-carbohydroxy-1-pentanalChEBI
5-formylvaleric acidChEBI
6-hydroxy caproic acidLIPID MAPS
6-Oxohexanoic acidKEGG COMPOUND
adipic acid monoaldehydeChEBI
Manual XrefsDatabases
C06102KEGG COMPOUND
Registry NumbersSources
Reaxys:1752422Reaxys
CAS:928-81-4ChemIDplus