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CHEBI:65068 - 6'''-oxoneomycin C(5+)

ChEBI IDCHEBI:65068
ChEBI Name6'''-oxoneomycin C(5+)
Stars
DefinitionAn organic cation obtained by protonation of all five free amino groups of 6'''-oxoneomycin C; major species at pH 7.3.
Last Modified2 July 2012
SubmitterKAX
DownloadsMolfile
FormulaC23H48N5O14
Net Charge+5
Average Mass618.658
Monoisotopic Mass618.31703
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](C=O)[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/C23H43N5O14/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/h3,5-23,30-36H,1-2,4,24-28H2/p+5/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyISQZALIQHGXYSL-VZXHOKRSSA-S
ChEBI Ontology
Outgoing Relation(s)
6'''-oxoneomycin C(5+) (CHEBI:65068) is a ammonium ion derivative (CHEBI:35274)
6'''-oxoneomycin C(5+) (CHEBI:65068) is a organic cation (CHEBI:25697)
6'''-oxoneomycin C(5+) (CHEBI:65068) is conjugate acid of 6'''-oxoneomycin C (CHEBI:65098)
Incoming Relation(s)
6'''-oxoneomycin C (CHEBI:65098) is conjugate base of 6'''-oxoneomycin C(5+) (CHEBI:65068)
IUPAC Name 
(1R,2R,3S,4R,6S)-4,6-diammonio-2-{[3-O-(2-ammonio-2-deoxy-α-D-gluco-hexodialdo-1,5-pyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diammonio-2,6-dideoxy-α-D-glucopyranoside
Synonyms  Source
6'''-deamino-6'''-oxoneomycin C(5+)SUBMITTER
6'''-deamino-6'''-dehydro-6'''-oxoneomycin C(5+)SUBMITTER
UniProt Name  Source
6'''-deamino-6'''-oxoneomycin CUniProt
Manual XrefsDatabases
C17589KEGG COMPOUND
Citations