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- ChemComp-6Y5: 5-fluoranyl-2-oxidanylidene-pentanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 6Y5
NameName: 5-fluoranyl-2-oxidanylidene-pentanoic acid

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Chemical information

Composition
Formula: C5H7FO3 / Number of atoms: 16 / Formula weight: 134.106 / Formal charge: 0
Others

5kx3
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6Y5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5KX3
History
Create componentJul 21, 2016
Initial releaseFeb 21, 2018
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

CACTVS 3.385OC(=O)C(=O)CCCF
OpenEye OEToolkits 2.0.5C(CC(=O)C(=O)O)CF

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SMILES CANONICAL

CACTVS 3.385OC(=O)C(=O)CCCF
OpenEye OEToolkits 2.0.5C(CC(=O)C(=O)O)CF

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InChI

InChI 1.03InChI=1S/C5H7FO3/c6-3-1-2-4(7)5(8)9/h1-3H2,(H,8,9)

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InChIKey

InChI 1.03PKJPKDDIJZVSME-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.55-fluoranyl-2-oxidanylidene-pentanoic acid

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PDB entries

Showing all 1 items

PDB-6bgn:
Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate

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