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

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

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ChEBI ID	CHEBI:72945
ChEBI Name	3''-deamino-3''-hydroxykanamycin C(3+)
Stars
Definition	An organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin C.
Last Modified	23 August 2024
Submitter	KAX
Downloads	Molfile

Formula	C18H38N3O12
Net Charge	+3
Average Mass	488.511
Monoisotopic Mass	488.24390
SMILES	[NH3+][C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])O[C@H](CO)[C@@H](O)[C@@H]1O
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

ChEBI Ontology

Outgoing Relation(s)
	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 acid of 3''-deamino-3''-hydroxykanamycin C (CHEBI:73078)
Incoming Relation(s)
	3''-deamino-3''-hydroxykanamycin C (CHEBI:73078) is conjugate base 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

UniProt Name	Source
3''-deamino-3''-hydroxykanamycin C	UniProt

Manual Xrefs	Databases
CPD-14153	MetaCyc

Citations