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CHEBI:65098 - 6'''-oxoneomycin C

ChEBI IDCHEBI:65098
ChEBI Name6'''-oxoneomycin C
Stars
DefinitionAn amino cyclitol glycoside derived from neomycin and consisting of neamine substituted at position 3 by a 3-O-(2-amino-2-deoxy-α-D-gluco-hexodialdo-1,5-pyranosyl)-β-D-ribofuranosyl group.
Last Modified2 July 2012
SubmitterSteve
DownloadsMolfile
FormulaC23H43N5O14
Net Charge0
Average Mass613.618
Monoisotopic Mass613.28065
SMILESNC[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]4N)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[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/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyISQZALIQHGXYSL-VZXHOKRSSA-N
ChEBI Ontology
Outgoing Relation(s)
6'''-oxoneomycin C (CHEBI:65098) has functional parent neamine (CHEBI:7489)
6'''-oxoneomycin C (CHEBI:65098) is a amino cyclitol glycoside (CHEBI:22479)
6'''-oxoneomycin C (CHEBI:65098) is conjugate base of 6'''-oxoneomycin C(5+) (CHEBI:65068)
Incoming Relation(s)
6'''-oxoneomycin C(5+) (CHEBI:65068) is conjugate acid of 6'''-oxoneomycin C (CHEBI:65098)
IUPAC Name 
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2-amino-2-deoxy-α-D-gluco-hexodialdo-1,5-pyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside
Synonym  Source
6'''-Deamino-6'''-dehydro-6'''-oxoneomycin CKEGG COMPOUND
Manual XrefsDatabases
C17589KEGG COMPOUND