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- ChemComp-OCH: QUINOLIN-2(1H)-ONE -

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Basic information

EntryDatabase: PDB chemical components / ID: OCH
NameName: quinolin-2(1H)-one / Synonyms: 2-OXOQUINOLINE

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Chemical information

Composition
Formula: C9H7NO / Number of atoms: 18 / Formula weight: 145.158 / Formal charge: 0
Others

1z03

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OCH / Model coordinates PDB-ID: 1Z03
History
Create componentMar 17, 2005
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 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

ACDLabs 10.04O=C2C=Cc1c(cccc1)N2
CACTVS 3.341O=C1Nc2ccccc2C=C1
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=CC(=O)N2

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SMILES CANONICAL

CACTVS 3.341O=C1Nc2ccccc2C=C1
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=CC(=O)N2

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InChI

InChI 1.03InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)

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InChIKey

InChI 1.03LISFMEBWQUVKPJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04quinolin-2(1H)-one
OpenEye OEToolkits 1.5.01H-quinolin-2-one

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PDB entries

Showing all 5 items

PDB-1z03:
2-Oxoquinoline 8-Monooxygenase Component: Active site Modulation by Rieske-[2fe-2S] Center Oxidation/Reduction

PDB-3srg:
Serum paraoxonase-1 by directed evolution at pH 6.5 in complex with 2-hydroxyquinoline

PDB-7hiz:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000008579298

PDB-7riz:
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound 2-hydroxyquinoline

PDB-9r0q:
Paraoxonase-1 in complex with terbium(III) and 2-hydroxyquinoline

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