3''-O-adenylylstreptomycin

Properties Image Occurences in reactions MNX_ID MNXM3828 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1 formula C31H53N12O18P charge 2 mass 912.33274 reference chebi:58605 InChIKey XXCKFFAFJMNLBC-YSLWDUGSSA-P InChI InChI=1S/C31H51N12O18P/c1-8-31(52,5-45)23(28(56-8)59-21-12(42-30(35)36)17(48)11(41-29(33)34)18(49)19(21)50)60-27-13(37-2)22(16(47)9(3-44)58-27)61-62(53,54)55-4-10-15(46)20(51)26(57-10)43-7-40-14-24(32)38-6-39-25(14)43/h5-13,15-23,26-28,37,44,46-52H,3-4H2,1-2H3,(H,53,54)(H2,32,38,39)(H4,33,34,41)(H4,35,36,42)/p+2/t8-,9-,10+,11+,12-,13-,15+,16-,17+,18-,19+,20+,21+,22-,23-,26+,27-,28-,31+/m0/s1 SMILES C[NH2+][C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(N)=[NH2+])[C@H](O)[C@@H](NC(N)=[NH2+])[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph