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CHEBI:72992 - 3''-deamino-3''-hydroxykanamycin X

ChEBI IDCHEBI:72992
ChEBI Name3''-deamino-3''-hydroxykanamycin X
Stars
DefinitionA kanamycin that is kanamycin X in which the 3''-amino group has been replaced by a hydroxy group.
Last Modified13 June 2022
SubmitterSteve
DownloadsMolfile
FormulaC18H34N2O13
Net Charge0
Average Mass486.471
Monoisotopic Mass486.20609
SMILESN[C@@H]1C[C@H](N)[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/t4-,5+,6-,7-,8-,9-,10+,11+,12-,13-,14-,15+,16-,17-,18-/m1/s1
InChIKeyLSQKHXZMWRRDRU-GUKOCFKPSA-N
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
3''-deamino-3''-hydroxykanamycin X (CHEBI:72992) has functional parent kanamycin X (CHEBI:72797)
3''-deamino-3''-hydroxykanamycin X (CHEBI:72992) is a kanamycins (CHEBI:24951)
3''-deamino-3''-hydroxykanamycin X (CHEBI:72992) is conjugate base of 3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946)
Incoming Relation(s)
3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946) is conjugate acid of 3''-deamino-3''-hydroxykanamycin X (CHEBI:72992)
IUPAC Name 
(1R,2S,3S,4R,6S)-4,6-diamino-3-(α-D-glucopyranosyloxy)-2-hydroxycyclohexyl α-D-glucopyranoside
Manual XrefsDatabases
US9133492Patent
26286796ChemSpider