3''-deamino-3''-hydroxykanamycin B

Properties Image MNX_ID MNXM97658 reference chebi:72944 formula C18H40N4O11 global charge 4 mol weight 488.535 InChIKey MOWMHIINUAQFMU-DNBVWFFRSA-R InChI InChI=1S/C18H36N4O11/c19-2-6-9(24)11(26)8(22)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)12(27)10(25)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1 SMILES [NH3+]C[C@H]1O[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+])[C@H]([NH3+])[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C18H36N4O11/c19-2-6-9(24)11(26)8(22)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)12(27)10(25)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1 SMILES (mnx) [CH2:1]1[C@H:4]([NH2:20])[C@@H:15]([O:32][C@@H:17]2[C@H:8]([NH2:22])[C@@H:11]([OH:26])[C@H:9]([OH:24])[C@@H:6]([CH2:2][NH2:19])[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[NH2:21]

Parent-child relations graph

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