CHEBI:201769 - Spectinomycin Sulfate Tetrahydrate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Spectinomycin Sulfate Tetrahydrate
ChEBI ID CHEBI:201769
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H24N2O7.H2O4S.H2O.H2O.H2O.H2O
Net Charge 0
Average Mass 502.490
Monoisotopic Mass 502.16799
InChI InChI=1S/C14H24N2O7.H2O4S.4H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4;;;;/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4);4*1H2
InChIKey OBZDRKHRQYPQDZ-UHFFFAOYSA-N
SMILES S(=O)(=O)(O)O.O=C1C2(OC3C(C(O)C(NC)C(C3NC)O)OC2OC(C1)C)O.O.O.O.O
ChEBI Ontology
Outgoing Spectinomycin Sulfate Tetrahydrate (CHEBI:201769) is a organic sulfate (CHEBI:25704)
IUPAC Name
suluric acid;(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;tetrahydrate
Manual Xref Database
58304 ChemSpider
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