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- ChemComp-UMH: 6-methoxyquinoline-3-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: UMH
NameName: 6-methoxyquinoline-3-carboxylic acid

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Chemical information

Composition
Formula: C11H9NO3 / Number of atoms: 24 / Formula weight: 203.194 / Formal charge: 0
Others

7nnc

Type: non-polymer / PDB classification: HETAIN / Three letter code: UMH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NNC
History
Create componentMar 2, 2021
Initial releaseJun 30, 2021
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / 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 3.385COc1ccc2ncc(cc2c1)C(O)=O
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)cc(cn2)C(=O)O

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SMILES CANONICAL

CACTVS 3.385COc1ccc2ncc(cc2c1)C(O)=O
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)cc(cn2)C(=O)O

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InChI

InChI 1.03InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14)

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InChIKey

InChI 1.03QSFFBQNKTUMKNW-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7nnc:
Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal-5'-phosphate and 6-Methoxyquinoline-3-carboxylic acid

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