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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
Supplier Information
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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
2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acid
ChEBI
3-(2-formamidobenzoyl)alanine
ChEBI
α-amino-2-(formylamino)-γ-oxobenzenebutanoic acid
ChEBI
formylkynurenine
ChEBI
N
'-formylkynurenine
ChEBI
N
-formylkynurenine
ChEBI
Manual Xrefs
Databases
C00058937
KNApSAcK
FDB022486
FooDB
HMDB0001200
HMDB
View more database links
Registry Number
Type
Source
1022-31-7
CAS Registry Number
ChEBI
Citations
Types
Sources
1018016
PubMed citation
Europe PMC
1086300
PubMed citation
Europe PMC
1187809
PubMed citation
Europe PMC
19353782
PubMed citation
Europe PMC
20408979
PubMed citation
Europe PMC
21254311
PubMed citation
Europe PMC
21527632
PubMed citation
Europe PMC
21770952
PubMed citation
Europe PMC
21892828
PubMed citation
Europe PMC
22860088
PubMed citation
Europe PMC
23314482
PubMed citation
Europe PMC
25907332
PubMed citation
Europe PMC
26560839
PubMed citation
Europe PMC
38649417
PubMed citation
Europe PMC
4275312
PubMed citation
Europe PMC
4674628
PubMed citation
Europe PMC
4819957
PubMed citation
Europe PMC
4835227
PubMed citation
Europe PMC
5168391
PubMed citation
Europe PMC
7118867
PubMed citation
Europe PMC
8766816
PubMed citation
Europe PMC
Last Modified
16 May 2024