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- ChemComp-L6X: 4-methoxy-3-oxidanyl-benzoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: L6X
NameName: 4-methoxy-3-oxidanyl-benzoic acid

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Chemical information

Composition
Formula: C8H8O4 / Number of atoms: 20 / Formula weight: 168.147 / Formal charge: 0
Others

8hgb

Type: non-polymer / PDB classification: HETAIN / Three letter code: L6X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8HGB
History
Create componentNov 16, 2022
Initial releaseNov 22, 2023
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 3.385COc1ccc(cc1O)C(O)=O
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1O)C(O)=O
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)C(=O)O

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InChI

InChI 1.06InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)

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InChIKey

InChI 1.06LBKFGYZQBSGRHY-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8hgb:
Crystal structure of the CYP199A4 mutant F182G in complex with 3-hydroxy-4-methoxybenzoic acid

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