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CHEBI:72757 - 2'-oxokanamycin(4+)

ChEBI IDCHEBI:72757
ChEBI Name2'-oxokanamycin(4+)
Stars
DefinitionA quadruply-charged organic cation arising from protonation of the four amino groups of 2'-oxokanamycin A; major species at pH 7.3.
Last Modified24 July 2013
SubmitterKAX
DownloadsMolfile
FormulaC18H38N4O11
Net Charge+4
Average Mass486.519
Monoisotopic Mass486.25151
SMILES[NH3+]C[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]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])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/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,14-,15+,16-,17-,18-/m1/s1
InChIKeyFQALWUBUOWECTR-WSWRBCCJSA-R
ChEBI Ontology
Outgoing Relation(s)
2'-oxokanamycin(4+) (CHEBI:72757) is a ammonium ion derivative (CHEBI:35274)
2'-oxokanamycin(4+) (CHEBI:72757) is a organic cation (CHEBI:25697)
2'-oxokanamycin(4+) (CHEBI:72757) is conjugate acid of 2'-oxokanamycin (CHEBI:72769)
Incoming Relation(s)
2'-oxokanamycin (CHEBI:72769) is conjugate base of 2'-oxokanamycin(4+) (CHEBI:72757)
IUPAC Name 
(1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-[(6-azaniumyl-6-deoxy-α-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-α-D-glucopyranoside
Synonyms  Source
2'-ketokanamycin(4+)ChEBI
2'-dehydrokanamycin A(4+)ChEBI
UniProt Name  Source
2'-dehydrokanamycin AUniProt
Citations