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CHEBI:65044 - 2'''-acetyl-6'''-hydroxyneomycin C

ChEBI IDCHEBI:65044
ChEBI Name2'''-acetyl-6'''-hydroxyneomycin C
Stars
DefinitionAn aminoglycoside derived from neomycin and consisting of neamine substituted at position 3 by a 2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→3)-β-D-ribofuranosyl group.
Last Modified25 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC25H47N5O15
Net Charge0
Average Mass657.671
Monoisotopic Mass657.30687
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](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)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)/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1
InChIKeyUGNMCGGITJEYFO-KVQCZYKRSA-N
ChEBI Ontology
Outgoing Relation(s)
2'''-acetyl-6'''-hydroxyneomycin C (CHEBI:65044) is a aminoglycoside (CHEBI:47779)
2'''-acetyl-6'''-hydroxyneomycin C (CHEBI:65044) is conjugate base of 2'''-acetyl-6'''-hydroxyneomycin C(4+) (CHEBI:65030)
Incoming Relation(s)
2'''-acetyl-6'''-hydroxyneomycin C(4+) (CHEBI:65030) is conjugate acid of 2'''-acetyl-6'''-hydroxyneomycin C (CHEBI:65044)
IUPAC Name 
(1R,2R,3S,4R,6S)-2-{[3-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-β-D-ribofuranosyl]oxy}-4,6-diamino-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside
Synonyms  Source
2'''-acetyl-6'''-deamino 6'''-hydroxyneomycin CChEBI
2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin CKEGG COMPOUND
Manual XrefsDatabases
C17587KEGG COMPOUND
Registry NumbersSources
Reaxys:19612306Reaxys