streptomycin 3''-phosphate

Properties Image MNX_ID MNXM4831 reference chebi:57482 formula C21H41N7O15P global charge 1 mol weight 662.567 InChIKey BFUAJTIVTIKBSB-GOUKQLAUSA-O InChI InChI=1S/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/p+1/t5-,6-,7+,8-,9-,10-,11+,12-,13+,14+,15-,16-,17-,18-,21+/m0/s1 SMILES C[NH2+][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)=[NH2+])[C@@H](O)[C@@H]3NC(N)=[NH2+])O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1OP(=O)([O-])[O-] MNX internals InChI (mnx) InChI=1/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7+,8-,9-,10-,11+,12-,13+,14+,15-,16-,17-,18-,21+/m0/s1 SMILES (mnx) [CH3:1][C@H:5]1[C@@:21]([CH:4]=[O:30])([OH:35])[C@@H:16]([O:42][C@H:17]2[C@@H:9]([NH:26][CH3:2])[C@H:15]([O:43][P:44]([OH:36])([OH:37])=[O:38])[C@@H:10]([OH:31])[C@H:6]([CH2:3][OH:29])[O:40]2)[C@H:18]([O:41][C@@H:14]2[C@@H:8]([NH:28][C:20](=[NH:24])[NH2:25])[C@H:11]([OH:32])[C@@H:7]([NH:27][C:19](=[NH:22])[NH2:23])[C@H:12]([OH:33])[C@H:13]2[OH:34])[O:39]1

Parent-child relations graph

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