CHEBI:190734 - Apramycin sulfate

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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 Apramycin sulfate
ChEBI ID CHEBI:190734
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H41N5O11.H2O4S
Net Charge 0
Average Mass 637.660
Monoisotopic Mass 637.24764
InChI InChI=1S/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-;/m1./s1
InChIKey WGLYHYWDYPSNPF-RQFIXDHTSA-N
SMILES S(O)(O)(=O)=O.O1[C@]2([C@@](O[C@H](O[C@H]3O[C@@H]([C@@H](N)[C@H](O)[C@H]3O)CO)[C@@H](NC)[C@H]2O)(C[C@@H](N)[C@H]1O[C@@H]4[C@@H](N)C[C@@H](N)[C@H](O)[C@H]4O)[H])[H]
Metabolite of Species Details
Oreochromis niloticus (NCBI:txid8128) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing Apramycin sulfate (CHEBI:190734) is a amino cyclitol (CHEBI:61689)
Apramycin sulfate (CHEBI:190734) is a glycoside (CHEBI:24400)
IUPAC Name
(2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol;suluric acid
Manual Xref Database
2339127 ChemSpider
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