CHEBI:72945 - 3''-deamino-3''-hydroxykanamycin C(3+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3''-deamino-3''-hydroxykanamycin C(3+)
ChEBI ID CHEBI:72945
Definition An organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin C.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C18H38N3O12
Net Charge +3
Average Mass 488.50720
Monoisotopic Mass 488.24390
InChI InChI=1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-8(21)11(26)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/p+3/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey UPPJKCYSMDGLRE-DNBVWFFRSA-Q
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]1[NH3+]
ChEBI Ontology
Outgoing 3''-deamino-3''-hydroxykanamycin C(3+) (CHEBI:72945) is a ammonium ion derivative (CHEBI:35274)
3''-deamino-3''-hydroxykanamycin C(3+) (CHEBI:72945) is a organic cation (CHEBI:25697)
3''-deamino-3''-hydroxykanamycin C(3+) (CHEBI:72945) is conjugate base of 3''-deamino-3''-hydroxykanamycin C (CHEBI:73078)
Incoming 3''-deamino-3''-hydroxykanamycin C (CHEBI:73078) is conjugate acid of 3''-deamino-3''-hydroxykanamycin C(3+) (CHEBI:72945)
IUPAC Name
(1S,2S,3R,4S,6R)-4,6-diazaniumyl-3-[(2-azaniumyl-2-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl α-D-glucopyranoside
Synonym Source
3''-deamino-3''-hydroxykanamycin C UniProt
Manual Xref Database
CPD-14153 MetaCyc
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Citation Waiting for Citations Type Source
22374809 PubMed citation SUBMITTER
Last Modified
02 April 2013