EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65077 - neomycin C(6+)

ChEBI IDCHEBI:65077
ChEBI Nameneomycin C(6+)
Stars
DefinitionAn organic cation obtained by protonation of the six free amino groups of neomycin C; major species at pH 7.3.
Last Modified24 November 2015
SubmitterKAX
DownloadsMolfile
FormulaC23H52N6O13
Net Charge+6
Average Mass620.698
Monoisotopic Mass620.35594
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[NH3+])[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/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/p+6/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyPGBHMTALBVVCIT-VZXHOKRSSA-T
ChEBI Ontology
Outgoing Relation(s)
neomycin C(6+) (CHEBI:65077) is a ammonium ion derivative (CHEBI:35274)
neomycin C(6+) (CHEBI:65077) is a organic cation (CHEBI:25697)
neomycin C(6+) (CHEBI:65077) is conjugate acid of neomycin C (CHEBI:53634)
Incoming Relation(s)
neomycin C (CHEBI:53634) is conjugate base of neomycin C(6+) (CHEBI:65077)
IUPAC Name 
(1R,2R,3S,4R,6S)-4,6-diammmonio-2-{[3-O-(2,6-diammmonio-2,6-dideoxy-α-D-glucopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diammmonio-2,6-dideoxy-α-D-glucopyranoside
UniProt Name  Source
neomycin CUniProt
Citations