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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-formyl-D-kynurenine zwitterion
ChEBI ID CHEBI:60051
ChEBI ASCII Name N-formyl-D-kynurenine zwitterion
Definition Zwitterionic form of N-formyl-D-kynurenine having an anionic carboxy group and a protonated amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H12N2O4
Net Charge 0
Average Mass 236.22400
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-/m1/s1
InChIKey BYHJHXPTQMMKCA-MRVPVSSYSA-N
SMILES [H]C(=O)Nc1ccccc1C(=O)C[C@@H]([NH3+])C([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
(2R)-2-ammonio-4-(2-formamidophenyl)-4-oxobutanoate ChEBI
N-formyl-D-kynurenine UniProt
Last Modified
13 August 2010