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CHEBI:18377 - N-formylkynurenine

Default Structure
ChEBI IDCHEBI:18377
ChEBI NameN-formylkynurenine
Stars
ASCII NameN-formylkynurenine
Secondary ChEBI IDsCHEBI:5156, CHEBI:12509
Last Modified16 May 2024
DownloadsMolfile
FormulaC11H12N2O4
Net Charge0
Average Mass236.227
Monoisotopic Mass236.07971
SMILES[H]C(=O)Nc1ccccc1C(=O)CC(N)C(=O)O
InChIInChI=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)
InChIKeyBYHJHXPTQMMKCA-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-formylkynurenine (CHEBI:18377) has functional parent kynurenine (CHEBI:28683)
N-formylkynurenine (CHEBI:18377) is a non-proteinogenic amino acid derivative (CHEBI:83812)
N-formylkynurenine (CHEBI:18377) is a non-proteinogenic α-amino acid (CHEBI:83925)
Incoming Relation(s)
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  Source
2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acidChEBI
3-(2-formamidobenzoyl)alanineChEBI
N'-formylkynurenineChEBI
N-formylkynurenineChEBI
formylkynurenineChEBI
α-amino-2-(formylamino)-γ-oxobenzenebutanoic acidChEBI
Manual XrefsDatabases
C00058937KNApSAcK
FDB022486FooDB
HMDB0001200HMDB
Registry NumbersSources
CAS:1022-31-7ChEBI
Citations