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ChEBI
> Main
CHEBI:18377 -
N
-formylkynurenine
Main
ChEBI Ontology
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ChEBI Name
N
-formylkynurenine
ChEBI ID
CHEBI:18377
ChEBI ASCII Name
N-formylkynurenine
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:5156, CHEBI:12509
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Formula
C11H12N2O4
Net Charge
0
Average Mass
236.22406
Monoisotopic Mass
236.07971
InChI
InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)
InChIKey
BYHJHXPTQMMKCA-UHFFFAOYSA-N
SMILES
[H]C(=O)Nc1ccccc1C(=O)CC(N)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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-formylkynurenine (
CHEBI:18377
)
has functional parent
kynurenine (
CHEBI:28683
)
N
-formylkynurenine (
CHEBI:18377
)
is a
non-proteinogenic α-amino acid (
CHEBI:83925
)
N
-formylkynurenine (
CHEBI:18377
)
is a
non-proteinogenic amino acid derivative (
CHEBI:83812
)
Incoming
5-hydroxy-
N
-formylkynurenine (
CHEBI:2065
)
has functional parent
N
-formylkynurenine (
CHEBI:18377
)
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
is a
N
-formylkynurenine (
CHEBI:18377
)
IUPAC Name
2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
Synonyms
Sources
3-(2-formamidobenzoyl)alanine
ChEBI
Formylkynurenine
KEGG COMPOUND
N-Formylkynurenine
KEGG COMPOUND
Manual Xref
Database
C02406
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1022-31-7
CAS Registry Number
KEGG COMPOUND
Last Modified
18 May 2017