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CHEBI:65031 - 6'''-hydroxyneomycin C(5+)

ChEBI IDCHEBI:65031
ChEBI Name6'''-hydroxyneomycin C(5+)
Stars
DefinitionAn organic cation obtained by protonation of the five free amino groups of 6'''-hydroxyneomycin C; major species at pH7.3.
Last Modified28 June 2012
SubmitterKAX
DownloadsMolfile
FormulaC23H50N5O14
Net Charge+5
Average Mass620.674
Monoisotopic Mass620.33268
SMILES[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4[NH3+])[C@H]3O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-6(26)1-5(25)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+5/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyLJQMKWFPBUGQOO-VZXHOKRSSA-S
ChEBI Ontology
Outgoing Relation(s)
6'''-hydroxyneomycin C(5+) (CHEBI:65031) is a ammonium ion derivative (CHEBI:35274)
6'''-hydroxyneomycin C(5+) (CHEBI:65031) is a organic cation (CHEBI:25697)
6'''-hydroxyneomycin C(5+) (CHEBI:65031) is conjugate acid of 6'''-hydroxyneomycin C (CHEBI:65043)
Incoming Relation(s)
6'''-hydroxyneomycin C (CHEBI:65043) is conjugate base of 6'''-hydroxyneomycin C(5+) (CHEBI:65031)
IUPAC Name 
(1R,2R,3S,4R,6S)-4,6-diazaniumyl-2-{[3-O-(2-azaniumyl-2-deoxy-α-D-glucopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diazaniumyl-2,6-dideoxy-α-D-glucopyranoside
Synonym  Source
6'''-deamino-6'''-hydroxyneomycin C(5+)ChEBI
UniProt Name  Source
6'''-deamino-6'''-hydroxyneomycin CUniProt
Citations