EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:146262 - 6-O-adenylylstreptomycin(2+)

ChEBI IDCHEBI:146262
ChEBI Name6-O-adenylylstreptomycin(2+)
Stars
ASCII Name6-O-adenylylstreptomycin(2+)
SubmitterKristian Axelsen
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](OP(=O)([O-])OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[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]1O
InChIInChI=1S/C31H51N12O18P/c1-8-31(52,5-45)23(60-27-13(37-2)18(49)15(46)9(3-44)58-27)28(56-8)59-21-11(41-29(33)34)17(48)12(42-30(35)36)22(20(21)51)61-62(53,54)55-4-10-16(47)19(50)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
InChIKeyWTARMSKPYZJSQR-ZJVZNLSDSA-P
ChEBI Ontology
Outgoing Relation(s)
6-O-adenylylstreptomycin(2+) (CHEBI:146262) is a guanidinium ion (CHEBI:60251)
UniProt Name  Source
6-O-adenylylstreptomycinUniProt
Citations