3'-deoxydihydrostreptomycin 3''-phosphate

Properties Image MNX_ID MNXM35918 reference chebi:27599 formula C21H42N7O14P global charge 0 mol weight 647.576 InChIKey IVYIIYNMXYWZJH-SPEROGKNSA-N InChI InChI=1S/C21H42N7O14P/c1-5-6(3-29)15(40-18-10(26-2)17(42-43(35,36)37)11(31)7(4-30)39-18)19(38-5)41-16-9(28-21(24)25)12(32)8(27-20(22)23)13(33)14(16)34/h5-19,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14+,15+,16+,17-,18-,19-/m0/s1 SMILES CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@@H]2CO)O[C@@H](CO)[C@H](O)[C@H]1OP(=O)(O)O MNX internals InChI (mnx) InChI=1/C21H42N7O14P/c1-5-6(3-29)15(40-18-10(26-2)17(42-43(35,36)37)11(31)7(4-30)39-18)19(38-5)41-16-9(28-21(24)25)12(32)8(27-20(22)23)13(33)14(16)34/h5-19,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14+,15+,16+,17-,18-,19-/m0/s1 SMILES (mnx) [CH3:1][C@H:5]1[C@H:6]([CH2:3][OH:29])[C@@H:15]([O:40][C@H:18]2[C@@H:10]([NH:26][CH3:2])[C@H:17]([O:42][P:43]([OH:35])([OH:36])=[O:37])[C@@H:11]([OH:31])[C@H:7]([CH2:4][OH:30])[O:39]2)[C@H:19]([O:41][C@@H:16]2[C@@H:9]([NH:28][C:21](=[NH:24])[NH2:25])[C@H:12]([OH:32])[C@@H:8]([NH:27][C:20](=[NH:22])[NH2:23])[C@H:13]([OH:33])[C@H:14]2[OH:34])[O:38]1

Parent-child relations graph

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