3''-Adenylylstreptomycin


InChI: InChI=1/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)/t8-,9-,10+,11+,12-,13-,15+,16-,17+,18-,19+,20+,21+,22-,23-,26+,27-,28-,31+/m0/s1/f/h33,35,41-42,53H,32,34,36H2

InChIKey: InChIKey=XXCKFFAFJMNLBC-BRTAKPAUDP
SMILES: CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)O[C@H]5[C@@H](O[C@@H](C)[C@]5(O)C=O)O[C@H]6[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]6NC(N)=N

Names:
    3''-Adenylylstreptomycin
    3''-adenylylstreptomycin
    3''-Adenylylstreptomycin
    3''-adenylylstreptomycin

Registries:
    PubChem CID 440022
    ChEBI 29076
    Kegg C03462
    PubChem ID 6282