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CHEBI:45556 - 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL

Default Structure
ChEBI IDCHEBI:45556
ChEBI Name2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H28O5S
Net Charge0
Average Mass308.440
Monoisotopic Mass308.16574
SMILES[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(SC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=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
InChIKeyCGVLVOOFCGWBCS-RGDJUOJXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL (CHEBI:45556) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOLPDBeChem
octyl 1-thio-beta-D-glucopyranosidePDBeChem
Manual XrefsDatabases
SOGPDBeChem