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- ChemComp-S3V: pyridine-4-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: S3V
NameName: pyridine-4-carboxylic acid

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Chemical information

Composition
Formula: C6H5NO2 / Number of atoms: 14 / Formula weight: 123.109 / Formal charge: 0
Others

5ram

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S3V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RAM
History
Create componentMar 4, 2020
Modify model coordinates codeMar 6, 2020
Initial releaseApr 22, 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

CACTVS 3.385OC(=O)c1ccncc1
OpenEye OEToolkits 2.0.6c1cnccc1C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1ccncc1
OpenEye OEToolkits 2.0.6c1cnccc1C(=O)O

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InChI

InChI 1.03InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)

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InChIKey

InChI 1.03TWBYWOBDOCUKOW-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-5ram:
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS038544d

PDB-7pvg:
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid

PDB-9hsl:
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid

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