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CHEBI:201489 - Kanamycin acid disulfate

ChEBI IDCHEBI:201489
ChEBI NameKanamycin acid disulfate
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SubmitterMetaboLights
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FormulaC18H36N4O11.2H2O4S
Net Charge0
Average Mass680.661
Monoisotopic Mass680.17282
SMILESNCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C18H36N4O11.2H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;2*1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;2*(H2,1,2,3,4)
InChIKeyOGTKIXVMLDAMNU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Kanamycin acid disulfate (CHEBI:201489) is a 2-deoxystreptamine derivative (CHEBI:61800)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;suluric acid
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