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CHEBI:58390 - N6'-acetylkanamycin B(4+)

ChEBI IDCHEBI:58390
ChEBI NameN6'-acetylkanamycin B(4+)
Stars
ASCII NameN(6')-acetylkanamycin B(4+)
DefinitionA quadruply-charged ammonium ion arising from protonation of the four free amino groups of N6'-acetylkanamycin; major species at pH 7.3.
Last Modified7 September 2015
DownloadsMolfile
FormulaC20H43N5O11
Net Charge+4
Average Mass529.588
Monoisotopic Mass529.29371
SMILESCC(=O)NC[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]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)/p+4/t6-,7+,8+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1
InChIKeyJVNRAWAXQAGKBK-HLIGCJFYSA-R
ChEBI Ontology
Outgoing Relation(s)
N6'-acetylkanamycin B(4+) (CHEBI:58390) is a ammonium ion derivative (CHEBI:35274)
N6'-acetylkanamycin B(4+) (CHEBI:58390) is a organic cation (CHEBI:25697)
N6'-acetylkanamycin B(4+) (CHEBI:58390) is conjugate acid of N6'-acetylkanamycin B (CHEBI:18142)
Incoming Relation(s)
N6'-acetylkanamycin B (CHEBI:18142) is conjugate base of N6'-acetylkanamycin B(4+) (CHEBI:58390)
IUPAC Name 
(1R,2S,3S,4R,6S)-4,6-diazaniumyl-3-[(3-azaniumyl-3-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 6-acetamido-2-azaniumyl-2,6-dideoxy-α-D-glucopyranoside
Synonym  Source
N6'-acetylkanamycin B tetracationChEBI
UniProt Name  Source
N6'-acetylkanamycin BUniProt