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Yorodumi- ChemComp-MF5: 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)p... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MF5 |
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Name | Name: Synonyms: methyl2-(pentafluorobenzyloxyimino)pyridinium |
-Chemical information
Composition | Formula: C14H10F5N2O / Number of atoms: 32 / Formula weight: 317.234 / Formal charge: 1 | ||||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: MF5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4B0P | ||||||||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | ( | |
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-PDB entries
Showing all 1 items
PDB-4b0p:
Crystal structure of soman-aged human butyrylcholinesterase in complex with methyl 2-(pentafluorobenzyloxyimino)pyridinium