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CHEBI:57971 - hygromycin B(3+)

ChEBI IDCHEBI:57971
ChEBI Namehygromycin B(3+)
Stars
DefinitionAn ammonium ion that is the trication of hygromycin B arising from protonation of the three amino groups; major species at pH 7.3.
Last Modified8 July 2015
DownloadsMolfile
FormulaC20H40N3O13
Net Charge+3
Average Mass530.548
Monoisotopic Mass530.25447
SMILESC[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@]4(O[C@H]23)O[C@H](C([NH3+])CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O
InChIInChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/p+3/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
InChIKeyGRRNUXAQVGOGFE-NZSRVPFOSA-Q
ChEBI Ontology
Outgoing Relation(s)
hygromycin B(3+) (CHEBI:57971) is a ammonium ion derivative (CHEBI:35274)
hygromycin B(3+) (CHEBI:57971) is conjugate acid of hygromycin B (CHEBI:16976)
Incoming Relation(s)
hygromycin B (CHEBI:16976) is conjugate base of hygromycin B(3+) (CHEBI:57971)
IUPAC Name 
(1R,2S,3R,5S,6R)-3-azaniumyl-2,6-dihydroxy-5-(methylazaniumyl)cyclohexyl O-6-azaniumyl-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-β-D-talopyranoside
Synonym  Source
hygromycin B tricationChEBI
UniProt Name  Source
hygromycin BUniProt