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CHEBI:72769 - 2'-oxokanamycin

ChEBI IDCHEBI:72769
ChEBI Name2'-oxokanamycin
Stars
DefinitionA kanamycin obtained by dehydrogenation at position 2' of kanamycin A.
Last Modified14 March 2013
SubmitterSteve
DownloadsMolfile
FormulaC18H34N4O11
Net Charge0
Average Mass482.487
Monoisotopic Mass482.22241
SMILESNC[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](N)[C@H]3O)[C@H](N)C[C@@H]2N)C(=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H34N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-12,14-18,23-27,29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,14-,15+,16-,17-,18-/m1/s1
InChIKeyFQALWUBUOWECTR-WSWRBCCJSA-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)
2'-oxokanamycin (CHEBI:72769) has functional parent kanamycin A (CHEBI:17630)
2'-oxokanamycin (CHEBI:72769) is a kanamycins (CHEBI:24951)
2'-oxokanamycin (CHEBI:72769) is conjugate base of 2'-oxokanamycin(4+) (CHEBI:72757)
Incoming Relation(s)
2'-oxokanamycin(4+) (CHEBI:72757) is conjugate acid of 2'-oxokanamycin (CHEBI:72769)
IUPAC Name 
(1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-α-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-glucopyranoside
Synonyms  Source
2'-dehydrokanamycin AChEBI
2'-ketokanamycinChEBI
Registry NumbersSources
Reaxys:22604553Reaxys
Citations