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- ChemComp-NF8: (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol -

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Basic information

EntryDatabase: PDB chemical components / ID: NF8
NameName: (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol

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Chemical information

Composition
Formula: C6H11FO4 / Number of atoms: 22 / Formula weight: 166.148 / Formal charge: 0
Others

6tjq

Type: non-polymer / PDB classification: HETAIN / Three letter code: NF8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6TJQ
History
Create componentNov 27, 2019
Initial releaseJun 10, 2020
External linksUniChem / ChemSpider / Nikkaji / PubChem / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385OC[CH]1OC[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(C(C(O1)CO)O)O)F

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1OC[C@H](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F

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InChI

InChI 1.03InChI=1S/C6H11FO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1

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InChIKey

InChI 1.03JEWFVWVAXVTBRL-SLPGGIOYSA-N

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PDB entries

Showing all 1 items

PDB-6tjq:
Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside

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