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CHEBI:231552 - neomycin B(5+)

Default Structure
ChEBI IDCHEBI:231552
ChEBI Nameneomycin B(5+)
Stars
Definitionmajor species at pH 7.3
SubmitterR. Stephan
DownloadsMolfile
FormulaC23H51N6O13.H2O4S
Net Charge+5
Average Mass717.769
Monoisotopic Mass717.31605
SMILESN[C@H]1[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]4[NH3+])[C@H]3O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])O[C@H](C[NH3+])[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)/p+5/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1
InChIKeyOIXVKQDWLFHVGR-WQDIDPJDSA-S
ChEBI Ontology
Outgoing Relation(s)
neomycin B(5+) (CHEBI:231552) is a organic molecular entity (CHEBI:50860)