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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3''-adenylylstreptomycin(2+)
ChEBI ID CHEBI:58605
Definition Dication of 3''-adenylylstreptomycin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H53N12O18P
Net Charge +2
Average Mass 912.79590
Monoisotopic Mass 912.33274
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
InChIKey XXCKFFAFJMNLBC-YSLWDUGSSA-P
SMILES C[NH2+][C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+]
ChEBI Ontology
Outgoing 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 3''-adenylylstreptomycin (CHEBI:29076) is conjugate base of 3''-adenylylstreptomycin(2+) (CHEBI:58605)
Synonym Source
3''-adenylylstreptomycin UniProt
Last Modified
31 July 2015