EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203221 - 9-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methylsulanyloxolan-2-yl]methyl]-1H-purin-6-one

ChEBI IDCHEBI:203221
ChEBI Name9-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methylsulanyloxolan-2-yl]methyl]-1H-purin-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14N4O4S
Net Charge0
Average Mass298.324
Monoisotopic Mass298.07358
SMILESCS[C@H]1O[C@H](Cn2cnc3c(=O)ncnc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N4O4S/c1-20-11-8(17)7(16)5(19-11)2-15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1
InChIKeyKHOAKFWUEHUJTA-IOSLPCCCSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies K310 (ncbitaxon:1453323) - PubMed (24534843)
ChEBI Ontology
Outgoing Relation(s)
9-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methylsulanyloxolan-2-yl]methyl]-1H-purin-6-one (CHEBI:203221) is a S-glycosyl compound (CHEBI:35275)
IUPAC Name 
9-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methylsulanyloxolan-2-yl]methyl]-1H-purin-6-one
Manual XrefsDatabases
78436979ChemSpider