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- ChemComp-G6C: 5-oxidanyl-1H-pyridin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: G6C
NameName: 5-oxidanyl-1H-pyridin-2-one

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Chemical information

Composition
Formula: C5H5NO2 / Number of atoms: 13 / Formula weight: 111.099 / Formal charge: 0
Others

7cn3

Type: non-polymer / PDB classification: HETAIN / Three letter code: G6C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CN3
History
Create componentJul 31, 2020
Initial releaseDec 16, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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

CACTVS 3.385OC1=CNC(=O)C=C1
OpenEye OEToolkits 2.0.7C1=CC(=O)NC=C1O

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SMILES CANONICAL

CACTVS 3.385OC1=CNC(=O)C=C1
OpenEye OEToolkits 2.0.7C1=CC(=O)NC=C1O

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InChI

InChI 1.03InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)

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InChIKey

InChI 1.03CHGPEDOMXOLANF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7cn3:
2,5-dihydroxypridine Dioxygenase in complex with 2,5-dihydroxypridine and product N-formylmaleamic acid

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