EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:28418 - gentamycin A

ChEBI IDCHEBI:28418
ChEBI Namegentamycin A
Stars
Secondary ChEBI IDsCHEBI:5307, CHEBI:24207
Last Modified3 August 2014
DownloadsMolfile
FormulaC18H36N4O10
Net Charge0
Average Mass468.504
Monoisotopic Mass468.24314
SMILESCN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@@H]1O
InChIInChI=1S/C18H36N4O10/c1-22-10-7(24)4-29-18(13(10)27)32-16-6(20)2-5(19)15(14(16)28)31-17-9(21)12(26)11(25)8(3-23)30-17/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17+,18-/m0/s1
InChIKeyLKKVGKXCMYHKSL-LLZRLKDCSA-N
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
gentamycin A (CHEBI:28418) is a gentamycin (CHEBI:17833)
IUPAC Name 
(1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-3-(methylamino)-α-L-xylopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside
Synonyms  Source
Gentamicin AKEGG COMPOUND
O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-deoxy-3-(methylamino)-alpha-D-xylopyranosyl-(1-6))-2-deoxy-D-streptamineChemIDplus
Gentamycin AChemIDplus
Manual XrefsDatabases
C01917KEGG COMPOUND
Registry NumbersSources
CAS:13291-74-2KEGG COMPOUND