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CHEBI:2076 - 5-hydroxykynurenine
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ChEBI Ontology
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ChEBI Name
5-hydroxykynurenine
ChEBI ID
CHEBI:2076
Definition
A hydroxykynurenine that is kynurenine bearing a hydroxy group at the position 5.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H12N2O4
Net Charge
0
Average Mass
224.21336
Monoisotopic Mass
224.07971
InChI
InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)
InChIKey
OTDQYOVYQQZAJL-UHFFFAOYSA-N
SMILES
NC(CC(=O)c1cc(O)ccc1N)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
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
5-hydroxykynurenine (
CHEBI:2076
)
has role
human metabolite (
CHEBI:77746
)
5-hydroxykynurenine (
CHEBI:2076
)
is a
hydroxykynurenine (
CHEBI:86497
)
Incoming
5-hydroxy-
N
-formylkynurenine (
CHEBI:2065
)
has functional parent
5-hydroxykynurenine (
CHEBI:2076
)
5-hydroxy-
L
-kynurenine (
CHEBI:36408
)
is a
5-hydroxykynurenine (
CHEBI:2076
)
IUPAC Name
3-(2-amino-5-hydroxybenzoyl)alanine
Synonyms
Sources
2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid
IUPAC
5-Hydroxykynurenine
KEGG COMPOUND
Registry Numbers
Types
Sources
2985859
Reaxys Registry Number
Reaxys
720-00-3
CAS Registry Number
ChemIDplus
Last Modified
15 July 2015