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ChEBI
> Main
CHEBI:28683 - kynurenine
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ChEBI Ontology
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ChEBI Name
kynurenine
ChEBI ID
CHEBI:28683
Definition
A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:6148, CHEBI:24992
Supplier Information
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Formula
C10H12N2O3
Net Charge
0
Average Mass
208.21396
Monoisotopic Mass
208.08479
InChI
InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)
InChIKey
YGPSJZOEDVAXAB-UHFFFAOYSA-N
SMILES
NC(CC(=O)c1ccccc1N)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
kynurenine (
CHEBI:28683
)
has role
human metabolite (
CHEBI:77746
)
kynurenine (
CHEBI:28683
)
is a
aromatic ketone (
CHEBI:76224
)
kynurenine (
CHEBI:28683
)
is a
non-proteinogenic α-amino acid (
CHEBI:83925
)
kynurenine (
CHEBI:28683
)
is a
substituted aniline (
CHEBI:48975
)
kynurenine (
CHEBI:28683
)
is conjugate acid of
kynureninate (
CHEBI:67008
)
Incoming
N
-acetylkynurenine (
CHEBI:133592
)
has functional parent
kynurenine (
CHEBI:28683
)
N
-formylkynurenine (
CHEBI:18377
)
has functional parent
kynurenine (
CHEBI:28683
)
hydroxykynurenine (
CHEBI:86497
)
has functional parent
kynurenine (
CHEBI:28683
)
D
-kynurenine (
CHEBI:86262
)
is a
kynurenine (
CHEBI:28683
)
L
-kynurenine (
CHEBI:16946
)
is a
kynurenine (
CHEBI:28683
)
kynureninate (
CHEBI:67008
)
is conjugate base of
kynurenine (
CHEBI:28683
)
IUPAC Name
2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Synonym
Source
Kynurenine
KEGG COMPOUND
Manual Xref
Database
C01718
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2697333
Reaxys Registry Number
Reaxys
343-65-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
14651996
PubMed citation
Europe PMC
16139256
PubMed citation
Europe PMC
17386621
PubMed citation
Europe PMC
19027117
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
Last Modified
04 October 2016