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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-hydroxy-4-methyl-D-kynurenine zwitterion
ChEBI ID CHEBI:141611
ChEBI ASCII Name 3-hydroxy-4-methyl-D-kynurenine zwitterion
Definition Zwitterionic 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
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C11H14N2O4
Net Charge 0
Average Mass 238.240
Monoisotopic Mass 238.095
InChI InChI=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
InChIKey BHPWCYYINLFUDE-SSDOTTSWSA-N
SMILES C1(C(C[C@H](C(=O)[O-])[NH3+])=O)=CC=C(C(=C1N)O)C
ChEBI Ontology
Outgoing 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 3-hydroxy-4-methyl-L-kynurenine zwitterion (CHEBI:141609) is enantiomer of 3-hydroxy-4-methyl-D-kynurenine zwitterion (CHEBI:141611)
Synonyms Sources
3-hydroxy-4-methyl-D-kynurenine UniProt
D-3H4MK SUBMITTER
Manual Xref Database
CPD-18438 MetaCyc accession
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Citation Waiting for Citations Type Source
21612226 PubMed citation SUBMITTER