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CHEBI:185609 - {[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid

ChEBI IDCHEBI:185609
ChEBI Name{[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O14S
Net Charge0
Average Mass422.361
Monoisotopic Mass422.07303
SMILESO=S(=O)(O)OCC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O
InChIInChI=1S/C12H22O14S/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-23-27(20,21)22)10(19)7(16)5(2-14)25-12/h4-11,13-19H,1-3H2,(H,20,21,22)
InChIKeyBGTAMGMPRFQNEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
{[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid (CHEBI:185609) is a carbohydrate sulfate (CHEBI:35724)
{[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid (CHEBI:185609) is a disaccharide derivative (CHEBI:63353)
IUPAC Name 
[3,4-dihydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hydrogen sulate
Manual XrefsDatabases
HMDB0125625HMDB
13637794ChemSpider