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CHEBI:58605 - 3''-adenylylstreptomycin(2+)

ChEBI IDCHEBI:58605
ChEBI Name3''-adenylylstreptomycin(2+)
Stars
DefinitionDication of 3''-adenylylstreptomycin.
Last Modified9 March 2020
DownloadsMolfile
FormulaC31H53N12O18P
Net Charge+2
Average Mass912.805
Monoisotopic Mass912.33274
SMILESC[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-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=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
InChIKeyXXCKFFAFJMNLBC-YSLWDUGSSA-P
ChEBI Ontology
Outgoing Relation(s)
3''-adenylylstreptomycin(2+) (CHEBI:58605) is a guanidinium ion (CHEBI:60251)
3''-adenylylstreptomycin(2+) (CHEBI:58605) is conjugate acid of 3''-adenylylstreptomycin (CHEBI:29076)
Incoming Relation(s)
3''-adenylylstreptomycin (CHEBI:29076) is conjugate base of 3''-adenylylstreptomycin(2+) (CHEBI:58605)
UniProt Name  Source
3''-O-adenylylstreptomycinUniProt