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- ChemComp-2FG: 2-deoxy-2-fluoro-beta-D-galactopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: 2FG
NameName: 2-deoxy-2-fluoro-beta-D-galactopyranose
Synonyms: 2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE; 2-deoxy-2-fluoro-beta-D-galactose; 2-deoxy-2-fluoro-D-galactose;

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Chemical information

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

3f53

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: 2FG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3F53
History
Create componentOct 2, 2001
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 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 / 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 11.02FC1C(O)C(O)C(OC1O)CO
CACTVS 3.352OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)O)F)O)O)O

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SMILES CANONICAL

CACTVS 3.352OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.0C([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-VFUOTHLCSA-N

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SYSTEMATIC NAME

ACDLabs 11.022-deoxy-2-fluoro-beta-D-galactopyranose
OpenEye OEToolkits 1.6.1(2R,3R,4S,5R,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Galp2fluoro

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PDB entries

Showing all 6 items

PDB-1jz2:
E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE (ORTHORHOMBIC)

PDB-4mol:
Pyranose 2-oxidase H167A mutant with 2-fluorinated galactose

PDB-4moq:
Pyranose 2-oxidase V546C mutant with 2-fluorinated galactose

PDB-4mos:
Pyranose 2-oxidase H450G/V546C double mutant with 2-fluorinated galactose

PDB-4v45:
E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE

PDB-6teq:
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose

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