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CHEBI:233208 - 4'-inosinylylkanamycin A(3+)

ChEBI IDCHEBI:233208
ChEBI Name4'-inosinylylkanamycin A(3+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC28H50N8O18P
Net Charge+3
Average Mass817.720
Monoisotopic Mass817.29642
SMILES[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H](O)[C@@H](O)[C@@H]1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(=O)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C28H47N8O18P/c29-2-9-23(54-55(46,47)48-4-11-15(39)18(42)26(49-11)36-6-35-13-24(36)33-5-34-25(13)45)17(41)19(43)28(50-9)53-22-8(31)1-7(30)21(20(22)44)52-27-16(40)12(32)14(38)10(3-37)51-27/h5-12,14-23,26-28,37-44H,1-4,29-32H2,(H,46,47)(H,33,34,45)/p+3/t7-,8+,9-,10-,11-,12+,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,26-,27-,28-/m1/s1
InChIKeyNKGWSFVUYWPWEX-OEGPVOQTSA-Q
ChEBI Ontology
Outgoing Relation(s)
4'-inosinylylkanamycin A(3+) (CHEBI:233208) has functional parent kanamycin A(4+) (CHEBI:58214)
4'-inosinylylkanamycin A(3+) (CHEBI:233208) is a ammonium ion derivative (CHEBI:35274)
Synonyms  Source
4'-IMP-kanamycin ASUBMITTER
4'-inosinylkanamycin ASUBMITTER
UniProt Name  Source
4'-inosinylylkanamycin AUniProt
Citations