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- ChemComp-5GF: 5-fluoro-beta-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: 5GF
NameName: 5-fluoro-beta-D-glucopyranose
Synonyms: 5-fluoro-beta-D-glucose; 5-fluoro-D-glucose; 5-fluoro-glucose

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Chemical information

Composition
Formula: C6H11FO6 / Number of atoms: 24 / Formula weight: 198.146 / Formal charge: 0
Others

4ba0

BGC

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: 5GF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BA0 / Parent comp.: BGC
History
Create componentSep 9, 2012
Modify nameSep 10, 2012
Initial releaseNov 9, 2012
Modify descriptorSep 5, 2014
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 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 12.01FC1(OC(O)C(O)C(O)C1O)CO
CACTVS 3.385OC[C]1(F)O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C(C1(C(C(C(C(O1)O)O)O)O)F)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@]1(F)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.9.2C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O

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InChI

InChI 1.03InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1

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InChIKey

InChI 1.03YQZCKDSOGGIGPL-VFUOTHLCSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)
OpenEye OEToolkits 1.9.2(2R,3R,4R,5S,6S)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

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PDB entries

Showing all 3 items

PDB-4amx:
CRYSTAL STRUCTURE OF THE GRACILARIOPSIS LEMANEIFORMIS ALPHA-1,4- GLUCAN LYASE Covalent Intermediate Complex with 5-fluoro-glucosyl- fluoride

PDB-4ba0:
Crystal Structure of Agd31B, alpha-transglucosylase, complexed with 5F-alpha-GlcF

PDB-5hjr:
Murine endoplasmic reticulum alpha-glucosidase II with bound covalent intermediate

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