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CHEBI:72990 - 3''-deamino-3''-hydroxykanamycin B

ChEBI IDCHEBI:72990
ChEBI Name3''-deamino-3''-hydroxykanamycin B
Stars
DefinitionA kanamycin that is kanamycin B in which the 3''-amino group has been replaced by a hydroxy group.
Last Modified13 June 2022
SubmitterSteve
DownloadsMolfile
FormulaC18H36N4O11
Net Charge0
Average Mass484.503
Monoisotopic Mass484.23806
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](O)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[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/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1
InChIKeyMOWMHIINUAQFMU-DNBVWFFRSA-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 B (CHEBI:72990) has functional parent kanamycin B (CHEBI:28098)
3''-deamino-3''-hydroxykanamycin B (CHEBI:72990) is a kanamycins (CHEBI:24951)
3''-deamino-3''-hydroxykanamycin B (CHEBI:72990) is conjugate base of 3''-deamino-3''-hydroxykanamycin B(4+) (CHEBI:72944)
Incoming Relation(s)
3''-deamino-3''-hydroxykanamycin B(4+) (CHEBI:72944) is conjugate acid of 3''-deamino-3''-hydroxykanamycin B (CHEBI:72990)
IUPAC Name 
(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl α-D-glucopyranoside
Synonyms  Source
nebramycin factor 3MetaCyc
Nebramycin IIIChemIDplus
NK 1012-1ChemIDplus
Registry NumbersSources
Reaxys:1694161Reaxys
CAS:31077-70-0ChemIDplus
Citations