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> Main
CHEBI:37440 - 3-oxoadipic acid
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ChEBI Name
3-oxoadipic acid
ChEBI ID
CHEBI:37440
Definition
An oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H8O5
Net Charge
0
Average Mass
160.12472
Monoisotopic Mass
160.03717
InChI
InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)
InChIKey
RTGHRDFWYQHVFW-UHFFFAOYSA-N
SMILES
OC(=O)CCC(=O)CC(O)=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
)
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-oxoadipic acid (
CHEBI:37440
)
has functional parent
adipic acid (
CHEBI:30832
)
3-oxoadipic acid (
CHEBI:37440
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
3-oxoadipic acid (
CHEBI:37440
)
has role
human metabolite (
CHEBI:77746
)
3-oxoadipic acid (
CHEBI:37440
)
is a
dicarboxylic fatty acid (
CHEBI:189840
)
3-oxoadipic acid (
CHEBI:37440
)
is a
oxo dicarboxylic acid (
CHEBI:36145
)
3-oxoadipic acid (
CHEBI:37440
)
is conjugate acid of
3-oxoadipate(2−) (
CHEBI:15775
)
Incoming
3-oxoadipyl-CoA (
CHEBI:15490
)
has functional parent
3-oxoadipic acid (
CHEBI:37440
)
3-oxoadipate(2−) (
CHEBI:15775
)
is conjugate base of
3-oxoadipic acid (
CHEBI:37440
)
IUPAC Name
3-oxohexanedioic acid
Synonyms
Sources
3-Keto-adipate
KEGG COMPOUND
3-Oxoadipic acid
KEGG COMPOUND
beta-Ketoadipic acid
ChemIDplus
beta-Oxoadipic acid
ChemIDplus
Manual Xrefs
Databases
C00846
KEGG COMPOUND
HMDB0000398
HMDB
LMFA01170096
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1775833
Reaxys Registry Number
Reaxys
689-31-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
13211620
PubMed citation
Europe PMC
15421941
PubMed citation
Europe PMC
18933507
PubMed citation
Europe PMC
3220884
PubMed citation
Europe PMC
Last Modified
24 February 2022