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CHEBI:41128 - octyl β-D-glucopyranoside

ChEBI IDCHEBI:41128
ChEBI Nameoctyl β-D-glucopyranoside
Stars
ASCII Nameoctyl beta-D-glucopyranoside
DefinitionAn β-D-glucoside in which the anomeric hydrogen of β-D-glucopyranose is substituted by an octyl group.
Secondary ChEBI IDCHEBI:136667
Last Modified14 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC14H28O6
Net Charge0
Average Mass292.372
Monoisotopic Mass292.18859
SMILESCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyHEGSGKPQLMEBJL-RKQHYHRCSA-N
Species of MetaboliteComponentSourceComments
Rhodiola sachalinensis (ncbitaxon:265354) root (BTO:0001188) PubMed (17917296)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
octyl β-D-glucopyranoside (CHEBI:41128) has role plant metabolite (CHEBI:76924)
octyl β-D-glucopyranoside (CHEBI:41128) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
octyl β-D-glucopyranoside
Synonyms  Source
1-O-n-octyl-β-D-glucopyranosideMetaCyc
1-O-octyl-β-D-glucopyranosideChemIDplus
1-octyl-β-D-glucopyranosideChEBI
octyl-β-D-glucosideChemIDplus
Oct β-GlcChEBI
β-octylglucosidePDBeChem
UniProt Name  Source
octyl β-D-glucoseUniProt
Manual XrefsDatabases
56585ChemSpider
BOGPDBeChem
C00029424KNApSAcK
CPD-7655MetaCyc
Registry NumbersSources
CAS:29836-26-8ChemIDplus
CAS:29836-26-8KNApSAcK
Citations