3-hydroxy-4-methyl-D-kynurenine

Properties Image MNX_ID MNXM164229 reference chebi:141611 formula C11H14N2O4 global charge 0 mol weight 238.243 InChIKey BHPWCYYINLFUDE-SSDOTTSWSA-N 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 SMILES CC1=CC=C(C(=O)C[C@@H]([NH3+])C(=O)[O-])C(N)=C1O MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH3:1][C:5]1=[C:10]([OH:15])[C:9]([NH2:13])=[C:6]([C:8]([CH2:4][C@H:7]([C:11](=[O:16])[OH:17])[NH2:12])=[O:14])[CH:3]=[CH:2]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0