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

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

ChEBI ID	CHEBI:185609

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H22O14S

Net Charge

Average Mass

422.350

Monoisotopic Mass

422.07303

InChI

InChI=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)

InChIKey

BGTAMGMPRFQNEL-UHFFFAOYSA-N

SMILES

S(OCC1(OC(C(O)C1O)CO)OC2OC(C(O)C(O)C2O)CO)(O)(=O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	{[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