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CHEBI:190734 - Apramycin sulfate

ChEBI IDCHEBI:190734
ChEBI NameApramycin sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H41N5O11.H2O4S
Net Charge0
Average Mass637.662
Monoisotopic Mass637.24764
SMILESO=S(=O)(O)O.[H][C@]12C[C@@H](N)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)O[C@]1([H])[C@H](O)[C@H](NC)[C@@H](O[C@H]1O[C@H](CO)[C@@H](N)[C@H](O)[C@H]1O)O2
InChIInChI=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
InChIKeyWGLYHYWDYPSNPF-RQFIXDHTSA-N
Species of MetaboliteComponentSourceComments
Oreochromis niloticus (ncbitaxon:8128) serum (BTO:0001239) MetaboLights (MTBLS4262)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
2339127ChemSpider