CHEBI:72946 - 3''-deamino-3''-hydroxykanamycin X(2+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3''-deamino-3''-hydroxykanamycin X(2+)
ChEBI ID CHEBI:72946
Definition An organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin X.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H36N2O13
Net Charge +2
Average Mass 488.48400
Monoisotopic Mass 488.22064
InChI InChI=1S/C18H34N2O13/c19-4-1-5(20)16(33-18-13(28)11(26)9(24)7(3-22)31-18)14(29)15(4)32-17-12(27)10(25)8(23)6(2-21)30-17/h4-18,21-29H,1-3,19-20H2/p+2/t4-,5+,6-,7-,8-,9-,10+,11+,12-,13-,14-,15+,16-,17-,18-/m1/s1
InChIKey LSQKHXZMWRRDRU-GUKOCFKPSA-P
SMILES [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing 3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946) is a ammonium ion derivative (CHEBI:35274)
3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946) is a organic cation (CHEBI:25697)
3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946) is conjugate acid of 3''-deamino-3''-hydroxykanamycin X (CHEBI:72992)
Incoming 3''-deamino-3''-hydroxykanamycin X (CHEBI:72992) is conjugate base of 3''-deamino-3''-hydroxykanamycin X(2+) (CHEBI:72946)
IUPAC Name
(1R,3S,4R,6S)-4,6-bis(α-D-glucopyranosyloxy)-5-hydroxycyclohexane-1,3-diaminium
Synonym Source
3''-deamino-3''-hydroxykanamycin X UniProt
Citation Type Source
22374809 PubMed citation SUBMITTER
Last Modified
23 August 2024