n-Octyl-beta-D-thioglucopyranoside (CHEBI:194397)

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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	n-Octyl-beta-D-thioglucopyranoside

ChEBI ID	CHEBI:194397

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H28O5S

Net Charge

Average Mass

308.430

Monoisotopic Mass

308.16575

InChI

InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1

InChIKey

CGVLVOOFCGWBCS-RGDJUOJXSA-N

SMILES

S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CCCCCCCC

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in cerebral cortex (BTO:0000233). See: MetaboLights Study

ChEBI Ontology
Outgoing	n-Octyl-beta-D-thioglucopyranoside (CHEBI:194397) is a S-glycosyl compound (CHEBI:35275)

IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octylsulanyloxane-3,4,5-triol