3''-deamino-3''-hydroxykanamycin X

Properties Image MNX_ID MNXM117127 reference chebi:72946 formula C18H36N2O13 global charge 2 mol weight 488.487 InChIKey LSQKHXZMWRRDRU-GUKOCFKPSA-P InChI InChI=1S/C18H34N2O13/c19-4-1-5(20)16(33-18-13(28)11(26)9(24)7(3-22)31-18)14(29)15(4)32-17-12(27)10(25)8(23)6(2-21)30-17/h4-18,21-29H,1-3,19-20H2/p+2/t4-,5+,6-,7-,8-,9-,10+,11+,12-,13-,14-,15+,16-,17-,18-/m1/s1 SMILES [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C18H34N2O13/c19-4-1-5(20)16(33-18-13(28)11(26)9(24)7(3-22)31-18)14(29)15(4)32-17-12(27)10(25)8(23)6(2-21)30-17/h4-18,21-29H,1-3,19-20H2/t4-,5+,6-,7-,8-,9-,10+,11+,12-,13-,14-,15+,16-,17-,18-/m1/s1 SMILES (mnx) [CH2:1]1[C@@H:4]([NH2:19])[C@H:15]([O:32][C@@H:17]2[C@H:12]([OH:27])[C@@H:10]([OH:25])[C@H:8]([OH:23])[C@@H:6]([CH2:2][OH:21])[O:30]2)[C@@H:14]([OH:29])[C@H:16]([O:33][C@@H:18]2[C@H:13]([OH:28])[C@@H:11]([OH:26])[C@H:9]([OH:24])[C@@H:7]([CH2:3][OH:22])[O:31]2)[C@H:5]1[NH2:20]

Parent-child relations graph

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