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CHEBI:38009 - 3'',6'-di-N-acetylkanamycin A

ChEBI IDCHEBI:38009
ChEBI Name3'',6'-di-N-acetylkanamycin A
Stars
ASCII Name3'',6'-di-N-acetylkanamycin A
Last Modified5 March 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H40N4O13
Net Charge0
Average Mass568.577
Monoisotopic Mass568.25919
SMILESCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H40N4O13/c1-6(28)25-4-10-14(31)16(33)17(34)22(36-10)39-20-9(24)3-8(23)19(18(20)35)38-21-15(32)12(26-7(2)29)13(30)11(5-27)37-21/h8-22,27,30-35H,3-5,23-24H2,1-2H3,(H,25,28)(H,26,29)/t8-,9+,10-,11-,12+,13-,14-,15-,16+,17-,18-,19+,20-,21-,22-/m1/s1
InChIKeyHUAYXMGRIABALH-CHOMWAFYSA-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)
3'',6'-di-N-acetylkanamycin A (CHEBI:38009) has functional parent kanamycin A (CHEBI:17630)
3'',6'-di-N-acetylkanamycin A (CHEBI:38009) is a N3''-acetylkanamycin (CHEBI:28500)
3'',6'-di-N-acetylkanamycin A (CHEBI:38009) is a N6'-acetylkanamycin (CHEBI:28725)
IUPAC Name 
(1S,2R,3R,4S,6R)-3-(6-acetamido-6-deoxy-α-D-glucopyranosyloxy)-4,6-diamino-2-hydroxycyclohexyl 3-acetamido-3-deoxy-α-D-glucopyranoside
Registry NumbersSources
Beilstein:4624473Beilstein