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- ChemComp-GAF: 2-deoxy-2-fluoro-alpha-D-galactopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: GAF
NameName: 2-deoxy-2-fluoro-alpha-D-galactopyranose
Synonyms: 2-DEOXY-2-FLUORO-GALACTOSE; 2-deoxy-2-fluoro-alpha-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
OthersType: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: GAF
History
Create componentFeb 11, 2004
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 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 / ChEBI / PubChem / 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 10.04FC1C(O)C(O)C(OC1O)CO
CACTVS 3.341OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)F)O)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C([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-DVKNGEFBSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-deoxy-2-fluoro-alpha-D-galactopyranose
OpenEye OEToolkits 1.5.0(2S,3R,4S,5R,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Galp2fluoro

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PDB entries

Showing all 4 items

PDB-1uwr:
Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-galactose

PDB-4moo:
Pyranose 2-oxidase H450G mutant with 2-fluorinated galactose

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

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

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