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- ChemComp-3MG: 3-O-methyl-beta-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: 3MG
NameName: 3-O-methyl-beta-D-glucopyranose
Synonyms: 3-O-methyl-beta-D-glucose; 3-O-methyl-D-glucose; 3-O-methyl-glucose

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Chemical information

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

2qw1

BGC

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: 3MG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2QW1 / Parent comp.: BGC
History
Create componentAug 22, 2007
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / 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 10.04O(C1C(O)C(OC(O)C1O)CO)C
CACTVS 3.341CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(OC(C1O)O)CO)O

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SMILES CANONICAL

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

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InChI

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

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InChIKey

InChI 1.03SCBBSJMAPKXHAH-BNWJMWRWSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-O-methyl-beta-D-glucopyranose
OpenEye OEToolkits 1.5.0(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxy-oxane-2,3,5-triol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DGlcp[3Me]b

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COMMON NAME

GMML 1.03-methyl-b-D-glucopyranose

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PDB entries

Showing all 4 items

PDB-2qw1:
Glucose/galactose binding protein bound to 3-O-methyl D-glucose

PDB-6rg2:
Photorhabdus laumondii lectin PLL2 in complex with 3-O-methyl-D-glucose

PDB-6rgu:
Photorhabdus asymbiotica lectin PHL in complex with 3-O-methyl-D-glucose

PDB-6x9m:
3-O-methyl-glucose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain

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