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- ChemComp-7RE: 6-methyl-3H-pyridin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: 7RE
NameName: 6-methyl-3H-pyridin-2-one
Synonyms: 2(3H)-Pyridinone, 6-methyl-; 6-Methylpyridin-2(3H)-one

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Chemical information

Composition
Formula: C6H7NO / Number of atoms: 15 / Formula weight: 109.126 / Formal charge: 0
Others

7pja

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7RE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7PJA
History
Create componentAug 23, 2021
Initial releaseOct 20, 2021
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 3.385CC1=NC(=O)CC=C1
OpenEye OEToolkits 2.0.7CC1=NC(=O)CC=C1

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SMILES CANONICAL

CACTVS 3.385CC1=NC(=O)CC=C1
OpenEye OEToolkits 2.0.7CC1=NC(=O)CC=C1

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InChI

InChI 1.03InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-3H,4H2,1H3

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InChIKey

InChI 1.03YQDSOMNGEOIBBG-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7pja:
Crystal structure of YTHDC1 with compound PSI_DC1_002

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