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- ChemComp-SHG: 2-deoxy-2-fluoro-beta-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: SHG
NameName: 2-deoxy-2-fluoro-beta-D-glucopyranose
Synonyms: 2-deoxy-2-fluoro-beta-D-glucose; 2-deoxy-2-fluoro-D-glucose; 2-deoxy-2-fluoro-glucose

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Chemical information

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

2nlr

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: SHG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2NLR
History
Create componentJan 17, 2009
Modify descriptorJun 4, 2011
Modify leaving atom flagJan 21, 2014
Other modificationJul 3, 2020
Modify synonymsJul 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 / Brenda / ChEBI / ChEMBL / 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 12.01FC1C(O)C(O)C(OC1O)CO
CACTVS 3.385OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)F)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O

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InChI

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

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InChIKey

InChI 1.03ZCXUVYAZINUVJD-QZABAPFNSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-deoxy-2-fluoro-beta-D-glucopyranose
OpenEye OEToolkits 1.7.6(2R,3R,4S,5S,6R)-3-fluoranyl-6-(hydroxymethyl)oxane-2,4,5-triol

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Glcp2fluoro

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PDB entries

Showing all 5 items

PDB-2igo:
Crystal structure of pyranose 2-oxidase H167A mutant with 2-fluoro-2-deoxy-D-glucose

PDB-3k4l:
Pyranose 2-oxidase F454N mutant in complex with 2FG

PDB-3k4m:
Pyranose 2-oxidase Y456W mutant in complex with 2FG

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

PDB-5l0v:
human POGLUT1 in complex with 2F-glucose modified EGF(+) and UDP

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