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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:1547 - 3-hydroxykynurenine
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ChEBI Name
3-hydroxykynurenine
ChEBI ID
CHEBI:1547
Definition
A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3.
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/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
InChIKey
VCKPUUFAIGNJHC-UHFFFAOYSA-N
SMILES
NC(CC(=O)c1cccc(O)c1N)C(O)=O
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
3-hydroxykynurenine (
CHEBI:1547
)
has role
human metabolite (
CHEBI:77746
)
3-hydroxykynurenine (
CHEBI:1547
)
is a
hydroxykynurenine (
CHEBI:86497
)
Incoming
3-hydroxy-
L
-kynurenine (
CHEBI:17380
)
is a
3-hydroxykynurenine (
CHEBI:1547
)
IUPAC Name
3-(2-amino-3-hydroxybenzoyl)alanine
Synonyms
Sources
2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
IUPAC
3-(3-hydroxyanthraniloyl)alanine
ChemIDplus
3-Hydroxy-DL-kynurenine
KEGG COMPOUND
3-Hydroxykynurenine
KEGG COMPOUND
Manual Xrefs
Databases
C02794
KEGG COMPOUND
HMDB0000732
HMDB
View more database links
Registry Numbers
Types
Sources
2697635
Reaxys Registry Number
Reaxys
484-78-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11477208
PubMed citation
Europe PMC
15206726
PubMed citation
Europe PMC
Last Modified
23 October 2015