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CHEBI:72944 - 3''-deamino-3''-hydroxykanamycin B(4+)

ChEBI IDCHEBI:72944
ChEBI Name3''-deamino-3''-hydroxykanamycin B(4+)
Stars
DefinitionAn organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin B.
Last Modified13 June 2022
SubmitterKAX
DownloadsMolfile
FormulaC18H40N4O11
Net Charge+4
Average Mass488.535
Monoisotopic Mass488.26716
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](O)[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H36N4O11/c19-2-6-9(24)11(26)8(22)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)12(27)10(25)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/p+4/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1
InChIKeyMOWMHIINUAQFMU-DNBVWFFRSA-R
ChEBI Ontology
Outgoing Relation(s)
3''-deamino-3''-hydroxykanamycin B(4+) (CHEBI:72944) is a ammonium ion derivative (CHEBI:35274)
3''-deamino-3''-hydroxykanamycin B(4+) (CHEBI:72944) is a organic cation (CHEBI:25697)
3''-deamino-3''-hydroxykanamycin B(4+) (CHEBI:72944) is conjugate acid of 3''-deamino-3''-hydroxykanamycin B (CHEBI:72990)
Incoming Relation(s)
3''-deamino-3''-hydroxykanamycin B (CHEBI:72990) is conjugate base of 3''-deamino-3''-hydroxykanamycin B(4+) (CHEBI:72944)
IUPAC Name 
(1S,2S,3R,4S,6R)-4,6-diazaniumyl-3-[(2,6-diazaniumyl-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl α-D-glucopyranoside
UniProt Name  Source
3''-deamino-3''-hydroxykanamycin BUniProt
Manual XrefsDatabases
CPD-14139MetaCyc
Citations