3-Hydroxynevirapine glucuronide

Properties Image MNX_ID MNXM150920 reference chebi:189987 formula C21H22N4O8 global charge 0 mol weight 458.427 InChIKey GDAAYOYNGMRKSI-IQSUWLOCSA-N InChI InChI=1S/C21H22N4O8/c1-8-11(26)7-23-18-12(8)24-19(10-3-2-6-22-17(10)25(18)9-4-5-9)33-21-15(29)13(27)14(28)16(32-21)20(30)31/h2-3,6-7,9,13-16,21,26-29H,4-5H2,1H3,(H,30,31)/t13-,14-,15+,16-,21?/m0/s1 SMILES CC1=C(O)C=NC2=C1N=C(OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CN=C1N2C1CC1 MNX internals InChI (mnx) InChI=1/C21H22N4O8/c1-8-11(26)7-23-18-12(8)24-19(10-3-2-6-22-17(10)25(18)9-4-5-9)33-21-15(29)13(27)14(28)16(32-21)20(30)31/h2-3,6-7,9,13-16,21,26-29H,4-5H2,1H3,(H,30,31)/t13-,14-,15+,16-,21?/m0/s1 SMILES (mnx) [CH3:1][C:8]1=[C:12]2[C:18](=[N:23][CH:7]=[C:11]1[OH:26])[N:25]([CH:9]1[CH2:4][CH2:5]1)[C:17]1=[C:10]([CH:3]=[CH:2][CH:6]=[N:22]1)[C:19]([O:33][CH:21]1[C@H:15]([OH:29])[C@@H:13]([OH:27])[C@H:14]([OH:28])[C@@H:16]([C:20](=[O:30])[OH:31])[O:32]1)=[N:24]2

Parent-child relations graph

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