Geneticin sulfate (CHEBI:201392)

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CHEBI:201392 - Geneticin sulfate

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ChEBI ID	CHEBI:201392
ChEBI Name	Geneticin sulfate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H40N4O10.2H2O4S
Net Charge	0
Average Mass	692.716
Monoisotopic Mass	692.20920
SMILES	CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)O)C(O)C(O)C3N)C2O)OCC1(C)O.O=S(=O)(O)O.O=S(=O)(O)O
InChI	InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;21-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2(H2,1,2,3,4)
InChIKey	UHEPSJJJMTWUCP-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	Geneticin sulfate (CHEBI:201392) is a amino cyclitol (CHEBI:61689)
	Geneticin sulfate (CHEBI:201392) is a glycoside (CHEBI:24400)

IUPAC Name
(2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;suluric acid

Manual Xrefs	Databases
17346220	ChemSpider