CHEBI:53634 - neomycin C

ChEBI IDCHEBI:53634
ChEBI Nameneomycin C
Stars
DefinitionA tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine C.
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H46N6O13
Net Charge0
Average Mass614.650
Monoisotopic Mass614.31229
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](CN)[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/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/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyPGBHMTALBVVCIT-VZXHOKRSSA-N
ChEBI Ontology
Outgoing Relation(s)
neomycin C (CHEBI:53634) is a aminoglycoside (CHEBI:47779)
neomycin C (CHEBI:53634) is conjugate base of neomycin C(6+) (CHEBI:65077)
Incoming Relation(s)
neomycin (CHEBI:7507) has part neomycin C (CHEBI:53634)
neomycin C sulfate (CHEBI:53637) has part neomycin C (CHEBI:53634)
neomycin C(6+) (CHEBI:65077) is conjugate acid of neomycin C (CHEBI:53634)
IUPAC Name 
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)-β-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside
Manual XrefsDatabases
C15652KEGG COMPOUND
Registry NumbersSources
Reaxys:101620Reaxys
CAS:66-86-4ChemIDplus
CAS:66-86-4KEGG COMPOUND
Citations