FAIRMD Lipids

Lipid beta-octyl D-glucopyranoside

Name	beta-octyl D-glucopyranoside
Molecule	BOG
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/BOG main

Property	Value
iupacName	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
smiles	CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
inChI	InChI=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
inChIKey	HEGSGKPQLMEBJL-RKQHYHRCSA-N
molecularFormula	C14H28O6
molecularWeight	292.37
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL446037?dimensions=200

Database	External ID
ChEBI	CHEBI:41128
ChEMBL	CHEMBL446037
metabolights	MTBLC41128
pdb.ligand	BOG
pubchem.compound	62852

1-O-n-octyl-β-D-glucopyranoside
1-O-octyl-β-D-glucopyranoside
1-octyl-β-D-glucopyranoside
Oct β-Glc
octyl-β-D-glucoside
β-D-octyl glucoside
β-octylglucoside

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/37",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "beta-octyl D-glucopyranoside",
    "url": "https://databank.nmrlipids.fi/lipid/37",
    "inChI": "InChI=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",
    "inChIKey": "HEGSGKPQLMEBJL-RKQHYHRCSA-N",
    "iupacName": "(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol",
    "molecularFormula": "C14H28O6",
    "smiles": "CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O",
    "alternateName": [
        "1-O-n-octyl-\u03b2-D-glucopyranoside",
        "1-O-octyl-\u03b2-D-glucopyranoside",
        "1-octyl-\u03b2-D-glucopyranoside",
        "Oct \u03b2-Glc",
        "octyl-\u03b2-D-glucoside",
        "\u03b2-D-octyl glucoside",
        "\u03b2-octylglucoside"
    ],
    "image": "https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL446037?dimensions=200",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:41128",
        "https://identifiers.org/ChEMBL/CHEMBL446037",
        "https://identifiers.org/metabolights/MTBLC41128",
        "https://identifiers.org/pdb.ligand/BOG",
        "https://identifiers.org/pubchem.compound/62852"
    ]
}