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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:30249 -
N
-formyl-
L
-kynurenine
Main
ChEBI Ontology
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Pathways
Models
ChEBI Name
N
-formyl-
L
-kynurenine
ChEBI ID
CHEBI:30249
ChEBI ASCII Name
N-formyl-L-kynurenine
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:12505, CHEBI:13100, CHEBI:21712, CHEBI:6215, CHEBI:17949
Supplier Information
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Molfile
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Molfile
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Formulae
C11H12N2O4
C11H12N2O4
Net Charge
0
Average Mass
236.227
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)
/t8-
/m0/s1
InChIKey
BYHJHXPTQMMKCA-QMMMGPOBSA-N
SMILES
C1=CC=C(C(C(C[C@@H](C(=O)O)N)=O)=C1)NC(=O)[H]
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Saccharomyces cerevisiae
(NCBI:txid4932)
Source: yeast.sf.net See:
PubMed
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):
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
has functional parent
L
-kynurenine (
CHEBI:16946
)
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
has role
human metabolite (
CHEBI:77746
)
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
has role
mouse metabolite (
CHEBI:75771
)
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
is a
N
-formylkynurenine (
CHEBI:18377
)
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
is a
non-proteinogenic
L
-α-amino acid (
CHEBI:83822
)
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
is a
non-proteinogenic amino acid derivative (
CHEBI:83812
)
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
is tautomer of
N
-formyl-
L
-kynurenine zwitterion (
CHEBI:58629
)
Incoming
5-hydroxy-
N
-formyl-
L
-kynurenine (
CHEBI:36407
)
has functional parent
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
N
-formyl-
L
-kynurenine zwitterion (
CHEBI:58629
)
is tautomer of
N
-formyl-
L
-kynurenine (
CHEBI:30249
)
IUPAC Name
(2
S
)-2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
Synonyms
Sources
3-(2-formamidobenzoyl)-
L
-alanine
ChEBI
L-Formylkynurenine
KEGG COMPOUND
N'-formylkynurenine
ChemIDplus
N-Formyl-L-kynurenine
KEGG COMPOUND
N-Formylkynurenine
KEGG COMPOUND
N-formylkynurenine
ChemIDplus
Manual Xrefs
Databases
C00007605
KNApSAcK
C02700
KEGG COMPOUND
NFK
PDBeChem
View more database links
Registry Number
Type
Source
1022-31-7
CAS Registry Number
KEGG COMPOUND
Last Modified
21 November 2019