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CHEBI:233209 - 4'-thymidylylkanamycin A(3+)

ChEBI IDCHEBI:233209
ChEBI Name4'-thymidylylkanamycin A(3+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC28H52N6O18P
Net Charge+3
Average Mass791.722
Monoisotopic Mass791.30592
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]5O)[C@H]([NH3+])C[C@@H]4[NH3+])O[C@@H]3C[NH3+])O2)c(=O)nc1=O
InChIInChI=1S/C28H49N6O18P/c1-8-5-34(28(43)33-25(8)42)15-3-11(36)14(47-15)7-46-53(44,45)52-24-12(4-29)48-27(20(40)19(24)39)51-23-10(31)2-9(30)22(21(23)41)50-26-18(38)16(32)17(37)13(6-35)49-26/h5,9-24,26-27,35-41H,2-4,6-7,29-32H2,1H3,(H,44,45)(H,33,42,43)/p+3/t9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22+,23-,24-,26-,27-/m1/s1
InChIKeyKXIWLXQHONDFCY-QGDAOXSKSA-Q
ChEBI Ontology
Outgoing Relation(s)
4'-thymidylylkanamycin A(3+) (CHEBI:233209) has functional parent kanamycin A(4+) (CHEBI:58214)
4'-thymidylylkanamycin A(3+) (CHEBI:233209) is a ammonium ion derivative (CHEBI:35274)
Synonyms  Source
4'-thymidylkanamycin ASUBMITTER
4'-TMP-kanamycin ASUBMITTER
UniProt Name  Source
4'-thymidylylkanamycin AUniProt
Citations