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- ChemComp-FOU: (5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE -

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Basic information

EntryDatabase: PDB chemical components / ID: FOU
NameName: (5S,6R)-5-fluoro-6-hydroxydihydropyrimidine-2,4(1H,3H)-dione
Synonyms: (5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE

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Chemical information

Composition
Formula: C4H7FN2O3 / Number of atoms: 17 / Formula weight: 150.108 / Formal charge: 0
Others

2i82

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FOU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2I82
History
Create componentSep 5, 2006
Modify descriptorJun 4, 2011
Other modificationJan 25, 2012
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / PubChem / 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)NC(=O)NC1O
CACTVS 3.370O[CH]1NC(=O)N[CH](O)C1F
OpenEye OEToolkits 1.7.6C1(C(NC(=O)NC1O)O)F

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SMILES CANONICAL

CACTVS 3.370O[C@H]1NC(=O)N[C@H](O)C1F
OpenEye OEToolkits 1.7.6[C@H]1(C([C@H](NC(=O)N1)O)F)O

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InChI

InChI 1.03InChI=1S/C4H7FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1-3,8-9H,(H2,6,7,10)/t2-,3-/m1/s1

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InChIKey

InChI 1.03DBCBOJHOXAJKHT-PWNYCUMCSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(4R,6R)-5-fluoro-4,6-dihydroxytetrahydropyrimidin-2(1H)-one
OpenEye OEToolkits 1.7.6(4R,6R)-5-fluoranyl-4,6-bis(oxidanyl)-1,3-diazinan-2-one

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PDB entries

Showing all 1 items

PDB-2i82:
Crystal structure of pseudouridine synthase RluA: indirect sequence readout through protein-induced RNA structure

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