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- ChemComp-MGL: methyl beta-D-glucopyranoside -

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Basic information

EntryDatabase: PDB chemical components / ID: MGL
NameName: methyl beta-D-glucopyranoside
Synonyms: O1-METHYL-GLUCOSE; methyl beta-D-glucoside; methyl D-glucoside; methyl glucoside

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Chemical information

Composition
Formula: C7H14O6 / Number of atoms: 27 / Formula weight: 194.182 / Formal charge: 0
Others

1fce

BGC

Type: D-saccharide / PDB classification: ATOMS / Three letter code: MGL / Model coordinates PDB-ID: 1FCE / Parent comp.: BGC
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O

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SMILES CANONICAL

CACTVS 3.341CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

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InChI

InChI 1.03InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1

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InChIKey

InChI 1.03HOVAGTYPODGVJG-XUUWZHRGSA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl beta-D-glucopyranoside
OpenEye OEToolkits 1.5.0(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DGlcp[1Me]b

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COMMON NAME

GMML 1.01-methyl-b-D-glucopyranose

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0o1-methyl-glucose

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PDB entries

Showing all 1 items

PDB-7vl4:
The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with methyl beta-D-glucoside

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