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CHEBI:233246 - 4'-(2'-deoxyadenylyl)kanamycin A(3+)

ChEBI IDCHEBI:233246
ChEBI Name4'-(2'-deoxyadenylyl)kanamycin A(3+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC28H51N9O16P
Net Charge+3
Average Mass800.737
Monoisotopic Mass800.31749
SMILESNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]4O)[C@H]([NH3+])C[C@@H]3[NH3+])O[C@@H]2C[NH3+])O1
InChIInChI=1S/C28H48N9O16P/c29-3-11-24(53-54(45,46)47-5-13-10(39)2-14(48-13)37-7-36-16-25(33)34-6-35-26(16)37)19(42)20(43)28(49-11)52-23-9(31)1-8(30)22(21(23)44)51-27-18(41)15(32)17(40)12(4-38)50-27/h6-15,17-24,27-28,38-44H,1-5,29-32H2,(H,45,46)(H2,33,34,35)/p+3/t8-,9+,10+,11-,12-,13-,14-,15+,17-,18-,19-,20-,21-,22+,23-,24-,27-,28-/m1/s1
InChIKeyJGCAXZWQJPYIEN-YEOFTBKZSA-Q
ChEBI Ontology
Outgoing Relation(s)
4'-(2'-deoxyadenylyl)kanamycin A(3+) (CHEBI:233246) has functional parent kanamycin A(4+) (CHEBI:58214)
4'-(2'-deoxyadenylyl)kanamycin A(3+) (CHEBI:233246) is a ammonium ion derivative (CHEBI:35274)
Synonym  Source
4'-dAMP-kanamycin ASUBMITTER
UniProt Name  Source
4'-(2'-deoxyadenylyl)kanamycin AUniProt
Citations