EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189775 - {[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}sulfonic acid

ChEBI IDCHEBI:189775
ChEBI Name{[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H12O9S
Net Charge0
Average Mass260.220
Monoisotopic Mass260.02020
SMILESO=S(=O)(O)OCC1OC(O)(CO)C(O)C1O
InChIInChI=1S/C6H12O9S/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)
InChIKeyJQZRNAMDPROKPU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
{[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}sulfonic acid (CHEBI:189775) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl hydrogen sulate
Manual XrefsDatabases
HMDB0125614HMDB