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

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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

Average Mass

238.240

Monoisotopic Mass

238.09536

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)

Citation	Type	Source
21612226	PubMed citation	SUBMITTER