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CHEBI:141611 - 3-hydroxy-4-methyl-D-kynurenine zwitterion

ChEBI IDCHEBI:141611
ChEBI Name3-hydroxy-4-methyl-D-kynurenine zwitterion
Stars
ASCII Name3-hydroxy-4-methyl-D-kynurenine zwitterion
DefinitionZwitterionic form of 3-hydroxy-4-methyl-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H14N2O4
Net Charge0
Average Mass238.243
Monoisotopic Mass238.09536
SMILESCc1ccc(C(=O)C[C@@H]([NH3+])C(=O)[O-])c(N)c1O
InChIInChI=1S/C11H14N2O4/c1-5-2-3-6(9(13)10(5)15)8(14)4-7(12)11(16)17/h2-3,7,15H,4,12-13H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyBHPWCYYINLFUDE-SSDOTTSWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-4-methyl-D-kynurenine zwitterion (CHEBI:141611) has functional parent 3-hydroxy-D-kynurenine zwitterion (CHEBI:141610)
3-hydroxy-4-methyl-D-kynurenine zwitterion (CHEBI:141611) is a amino-acid zwitterion (CHEBI:35238)
3-hydroxy-4-methyl-D-kynurenine zwitterion (CHEBI:141611) is enantiomer of 3-hydroxy-4-methyl-L-kynurenine zwitterion (CHEBI:141609)
Incoming Relation(s)
3-hydroxy-4-methyl-L-kynurenine zwitterion (CHEBI:141609) is enantiomer of 3-hydroxy-4-methyl-D-kynurenine zwitterion (CHEBI:141611)
Synonym  Source
D-3H4MKSUBMITTER
UniProt Name  Source
3-hydroxy-4-methyl-D-kynurenineUniProt
Manual XrefsDatabases
CPD-18438MetaCyc
Citations