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CHEBI:53636 - neomycin B sulfate

ChEBI IDCHEBI:53636
ChEBI Nameneomycin B sulfate
Stars
DefinitionThe aminoglycoside sulfate salt that is the sulfate salt of neomycin B; a component of neomycin sulfate.
Last Modified11 December 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H46N6O13.H2O4S
Net Charge0
Average Mass712.729
Monoisotopic Mass712.27967
SMILESNC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
InChIInChI=1S/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1
InChIKeyOIXVKQDWLFHVGR-WQDIDPJDSA-N
ChEBI Ontology
Outgoing Relation(s)
neomycin B sulfate (CHEBI:53636) has part framycetin (CHEBI:7508)
neomycin B sulfate (CHEBI:53636) is a aminoglycoside sulfate salt (CHEBI:38012)
Incoming Relation(s)
neomycin sulfate (CHEBI:31635) has part neomycin B sulfate (CHEBI:53636)
IUPAC Name 
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside sulfate
Citations