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CHEBI:65030 - 2'''-acetyl-6'''-hydroxyneomycin C(4+)

ChEBI IDCHEBI:65030
ChEBI Name2'''-acetyl-6'''-hydroxyneomycin C(4+)
Stars
DefinitionA quadruply-charged organic cation obtained by protonation of the four free amino groups of 2'''-acetyl-6'''-hydroxyneomycin C; major species at pH7.3.
Last Modified25 June 2012
SubmitterKAX
DownloadsMolfile
FormulaC25H51N5O15
Net Charge+4
Average Mass661.703
Monoisotopic Mass661.33597
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@H]3O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3[NH3+])O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H47N5O15/c1-6(33)30-13-18(38)16(36)10(4-31)41-24(13)44-21-11(5-32)42-25(19(21)39)45-22-14(34)7(27)2-8(28)20(22)43-23-12(29)17(37)15(35)9(3-26)40-23/h7-25,31-32,34-39H,2-5,26-29H2,1H3,(H,30,33)/p+4/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1
InChIKeyUGNMCGGITJEYFO-KVQCZYKRSA-R
ChEBI Ontology
Outgoing Relation(s)
2'''-acetyl-6'''-hydroxyneomycin C(4+) (CHEBI:65030) is a ammonium ion derivative (CHEBI:35274)
2'''-acetyl-6'''-hydroxyneomycin C(4+) (CHEBI:65030) is a organic cation (CHEBI:25697)
2'''-acetyl-6'''-hydroxyneomycin C(4+) (CHEBI:65030) is conjugate acid of 2'''-acetyl-6'''-hydroxyneomycin C (CHEBI:65044)
Incoming Relation(s)
2'''-acetyl-6'''-hydroxyneomycin C (CHEBI:65044) is conjugate base of 2'''-acetyl-6'''-hydroxyneomycin C(4+) (CHEBI:65030)
IUPAC Name 
(1R,2R,3S,4R,6S)-4,6-diazaniumyl-2-{[3-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diazaniumyl-2,6-dideoxy-α-D-glucopyranoside
Synonym  Source
2'''-acetyl-6'''-deamino 6'''-hydroxyneomycin C(4+)ChEBI
UniProt Name  Source
2'''-acetyl-6'''-hydroxyneomycin CUniProt
Citations