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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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.