kanamycin X

Properties Image MNX_ID MNXM58923 reference chebi:72756 formula C18H38N3O12 global charge 3 mol weight 488.511 InChIKey OHNBRQGGOHMIAP-NOAMYHISSA-Q InChI InChI=1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-11(26)8(21)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/p+3/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 SMILES [NH3+][C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]([NH3+])C[C@H]2[NH3+])O[C@H](CO)[C@H]1O MNX internals InChI (mnx) InChI=1/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-11(26)8(21)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/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:11]([OH:26])[C@@H:8]([NH2:21])[C@H:9]([OH:24])[C@@H:6]([CH2:2][OH:22])[O:30]2)[C@@H:14]([OH:29])[C@H:16]([O:33][C@@H:18]2[C@H:13]([OH:28])[C@@H:12]([OH:27])[C@H:10]([OH:25])[C@@H:7]([CH2:3][OH:23])[O:31]2)[C@H:5]1[NH2:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0