CHEBI:2490 - 6-oxohexanoic acid

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ChEBI Name 6-oxohexanoic acid
ChEBI ID CHEBI:2490
Definition A medium-chain fatty acid comprising hexanoic acid carrying an oxo group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H10O3
Net Charge 0
Average Mass 130.14180
Monoisotopic Mass 130.06299
InChI InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)
InChIKey PNPPVRALIYXJBW-UHFFFAOYSA-N
SMILES OC(=O)CCCCC=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 6-oxohexanoic acid (CHEBI:2490) has functional parent hexanoic acid (CHEBI:30776)
6-oxohexanoic acid (CHEBI:2490) is a ω-oxo fatty acid (CHEBI:76328)
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 conjugate acid of 6-oxohexanoate (CHEBI:18322)
Incoming 6-oxohexanoate (CHEBI:18322) is conjugate base of 6-oxohexanoic acid (CHEBI:2490)
IUPAC Name
6-oxohexanoic acid
Synonyms Sources
1-hexanal-6-carboxylic acid ChEBI
5-carbohydroxy-1-pentanal ChEBI
5-formylvaleric acid ChEBI
6-hydroxy caproic acid LIPID MAPS
6-Oxohexanoic acid KEGG COMPOUND
adipic acid monoaldehyde ChEBI
adipic acid semialdehyde ChEBI
adipic monoaldehyde ChEBI
adipic semialdehyde ChEBI
Manual Xref Database
C06102 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1752422 Beilstein Registry Number Beilstein
1752422 Reaxys Registry Number Reaxys
928-81-4 CAS Registry Number ChemIDplus
Last Modified
28 July 2014
General Comment
2011-01-13 Intermediate metabolite in the formation of caproic acid.