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CHEBI:31255 - bekanamycin sulfate

ChEBI IDCHEBI:31255
ChEBI Namebekanamycin sulfate
Stars
Last Modified15 June 2022
DownloadsMolfile
FormulaC18H37N5O10.H2O4S
Net Charge0
Average Mass581.598
Monoisotopic Mass581.22142
SMILESNC[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](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
InChIInChI=1S/C18H37N5O10.H2O4S/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18;1-5(2,3)4/h4-18,24-29H,1-3,19-23H2;(H2,1,2,3,4)/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+;/m0./s1
InChIKeyYGTPKDKJVZOVCO-KELBJJLKSA-N
ChEBI Ontology
Outgoing Relation(s)
bekanamycin sulfate (CHEBI:31255) has functional parent kanamycin B (CHEBI:28098)
bekanamycin sulfate (CHEBI:31255) is a aminoglycoside sulfate salt (CHEBI:38012)
IUPAC Name 
(1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-α-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside sulfate
Synonyms  Source
Bekanamycin sulfateKEGG DRUG
AKMKEGG DRUG
Kanamycin B sulfateChemIDplus
Brand Name  Source
KanendomycinKEGG DRUG
Manual XrefsDatabases
D01868KEGG DRUG
Registry NumbersSources
Beilstein:5235274Beilstein
CAS:29701-07-3ChemIDplus