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CHEBI:72946 - 3''-deamino-3''-hydroxykanamycin X(2+)

ChEBI IDCHEBI:72946
ChEBI Name3''-deamino-3''-hydroxykanamycin X(2+)
Stars
DefinitionAn organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin X.
Last Modified23 August 2024
SubmitterKAX
DownloadsMolfile
FormulaC18H36N2O13
Net Charge+2
Average Mass488.487
Monoisotopic Mass488.22064
SMILES[NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H34N2O13/c19-4-1-5(20)16(33-18-13(28)11(26)9(24)7(3-22)31-18)14(29)15(4)32-17-12(27)10(25)8(23)6(2-21)30-17/h4-18,21-29H,1-3,19-20H2/p+2/t4-,5+,6-,7-,8-,9-,10+,11+,12-,13-,14-,15+,16-,17-,18-/m1/s1
InChIKeyLSQKHXZMWRRDRU-GUKOCFKPSA-P
ChEBI Ontology
Outgoing Relation(s)
3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946) is a ammonium ion derivative (CHEBI:35274)
3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946) is a organic cation (CHEBI:25697)
3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946) is conjugate acid of 3''-deamino-3''-hydroxykanamycin X (CHEBI:72992)
Incoming Relation(s)
3''-deamino-3''-hydroxykanamycin X (CHEBI:72992) is conjugate base of 3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946)
IUPAC Name 
(1R,3S,4R,6S)-4,6-bis(α-D-glucopyranosyloxy)-5-hydroxycyclohexane-1,3-diaminium
UniProt Name  Source
3''-deamino-3''-hydroxykanamycin XUniProt
Citations