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CHEBI:73675 - 6''-O-carbamoylkanamycin A(4+)

ChEBI IDCHEBI:73675
ChEBI Name6''-O-carbamoylkanamycin A(4+)
Stars
ASCII Name6''-O-carbamoylkanamycin A(4+)
DefinitionAn organic cation obtained by protonation of the four amino groups of 6''-O-carbamoylkanamycin A.
Last Modified19 May 2015
SubmitterKAX
DownloadsMolfile
FormulaC19H41N5O12
Net Charge+4
Average Mass531.560
Monoisotopic Mass531.27298
SMILESNC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3O)[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O
InChIInChI=1S/C19H37N5O12/c20-2-6-10(26)12(28)13(29)18(33-6)36-16-5(22)1-4(21)15(14(16)30)35-17-11(27)8(23)9(25)7(34-17)3-32-19(24)31/h4-18,25-30H,1-3,20-23H2,(H2,24,31)/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
InChIKeyPRWQRPNQDIKFBR-NOAMYHISSA-R
ChEBI Ontology
Outgoing Relation(s)
6''-O-carbamoylkanamycin A(4+) (CHEBI:73675) has functional parent kanamycin A(4+) (CHEBI:58214)
6''-O-carbamoylkanamycin A(4+) (CHEBI:73675) is a ammonium ion derivative (CHEBI:35274)
6''-O-carbamoylkanamycin A(4+) (CHEBI:73675) is a organic cation (CHEBI:25697)
6''-O-carbamoylkanamycin A(4+) (CHEBI:73675) is conjugate acid of 6''-O-carbamoylkanamycin A (CHEBI:73683)
Incoming Relation(s)
6''-O-carbamoylkanamycin A (CHEBI:73683) is conjugate base of 6''-O-carbamoylkanamycin A(4+) (CHEBI:73675)
IUPAC Name 
(1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-[(6-azaniumyl-6-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-azaniumyl-6-O-carbamoyl-3-deoxy-α-D-glucopyranoside
UniProt Name  Source
6''-O-carbamoylkanamycin AUniProt
Citations