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CHEBI:60051 - N-formyl-D-kynurenine zwitterion

ChEBI IDCHEBI:60051
ChEBI NameN-formyl-D-kynurenine zwitterion
Stars
ASCII NameN-formyl-D-kynurenine zwitterion
DefinitionZwitterionic form of N-formyl-D-kynurenine having an anionic carboxy group and a protonated amino group; major species at pH 7.3.
Last Modified13 August 2010
SubmitterSteve
DownloadsMolfile
FormulaC11H12N2O4
Net Charge0
Average Mass236.227
Monoisotopic Mass236.07971
SMILES[H]C(=O)Nc1ccccc1C(=O)C[C@@H]([NH3+])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-/m1/s1
InChIKeyBYHJHXPTQMMKCA-MRVPVSSYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-formyl-D-kynurenine zwitterion (CHEBI:60051) is a amino-acid zwitterion (CHEBI:35238)
N-formyl-D-kynurenine zwitterion (CHEBI:60051) is tautomer of N-formyl-D-kynurenine (CHEBI:55476)
Incoming Relation(s)
N-formyl-D-kynurenine (CHEBI:55476) is tautomer of N-formyl-D-kynurenine zwitterion (CHEBI:60051)
IUPAC Name 
(2R)-2-azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate
Synonym  Source
(2R)-2-ammonio-4-(2-formamidophenyl)-4-oxobutanoateChEBI
UniProt Name  Source
N-formyl-D-kynurenineUniProt