N-benzyl-9-(alpha-D-glucosyl)adenine

Properties Image MNX_ID MNXM16250 reference chebi:72604 formula C18H21N5O5 global charge 0 mol weight 387.396 InChIKey KRUUBWXADMDQSI-YYZLIPTLSA-N InChI InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18+/m1/s1 SMILES OC[C@H]1O[C@H](N2C=NC3=C2N=CN=C3NCC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:6][NH:19][C:16]2=[C:12]3[C:17](=[N:21][CH:8]=[N:20]2)[N:23]([C@@H:18]2[C@H:15]([OH:27])[C@@H:14]([OH:26])[C@H:13]([OH:25])[C@@H:11]([CH2:7][OH:24])[O:28]2)[CH:9]=[N:22]3)[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0