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CHEBI:58629 - N-formyl-L-kynurenine zwitterion

ChEBI IDCHEBI:58629
ChEBI NameN-formyl-L-kynurenine zwitterion
Stars
ASCII NameN-formyl-L-kynurenine zwitterion
DefinitionZwitterionic form of N-formyl-L-kynurenine.
Last Modified16 May 2024
DownloadsMolfile
FormulaC11H12N2O4
Net Charge0
Average Mass236.227
Monoisotopic Mass236.07971
SMILES[NH3+][C@@H](CC(=O)c1ccccc1NC=O)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)/t8-/m0/s1
InChIKeyBYHJHXPTQMMKCA-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-formyl-L-kynurenine zwitterion (CHEBI:58629) is a amino-acid zwitterion (CHEBI:35238)
N-formyl-L-kynurenine zwitterion (CHEBI:58629) is tautomer of N-formyl-L-kynurenine (CHEBI:30249)
Incoming Relation(s)
N-formyl-L-kynurenine (CHEBI:30249) is tautomer of N-formyl-L-kynurenine zwitterion (CHEBI:58629)
IUPAC Name 
(2S)-2-azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate
UniProt Name  Source
N-formyl-L-kynurenineUniProt
Manual XrefsDatabases
N-FORMYLKYNURENINEMetaCyc