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- ChemComp-G3F: 3-deoxy-3-fluoro-beta-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: G3F
NameName: 3-deoxy-3-fluoro-beta-D-glucopyranose
Synonyms: 3-deoxy-3-fluoro-beta-D-glucose; 3-deoxy-3-fluoro-D-glucose; 3-deoxy-3-fluoro-glucose

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Chemical information

Composition
Formula: C6H11FO5 / Number of atoms: 23 / Formula weight: 182.147 / Formal charge: 0
Others

3pl8

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: G3F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3PL8
History
Create componentNov 16, 2010
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 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 12.01FC1C(O)C(OC(O)C1O)CO
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)O)O)F)O)O

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SMILES CANONICAL

CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](F)[C@@H]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O

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InChI

InChI 1.03InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1

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InChIKey

InChI 1.03BUMRBAMACDBPKO-AIECOIEWSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-deoxy-3-fluoro-beta-D-glucopyranose
OpenEye OEToolkits 1.7.0(2R,3S,4S,5R,6R)-4-fluoro-6-(hydroxymethyl)oxane-2,3,5-triol

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Glcp3fluoro

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PDB entries

Showing all 6 items

PDB-3pl8:
Pyranose 2-oxidase H167A complex with 3-deoxy-3-fluoro-beta-D-glucose

PDB-4mig:
Pyranose 2-oxidase from Phanerochaete chrysosporium, recombinant wild type

PDB-4mih:
Pyranose 2-oxidase from Phanerochaete chrysosporium, recombinant H158A mutant

PDB-4moe:
Pyranose 2-oxidase H450G mutant with 3-fluorinated glucose

PDB-4mog:
Pyranose 2-oxidase V546C mutant with 3-fluorinated glucose

PDB-4moi:
Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated glucose

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