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- ChemComp-FYR: 2-oxidanyl-4-phenyl-benzoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: FYR
NameName: 2-oxidanyl-4-phenyl-benzoic acid

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Chemical information

Composition
Formula: C13H10O3 / Number of atoms: 26 / Formula weight: 214.217 / Formal charge: 0
Others

7cib

Type: non-polymer / PDB classification: HETAIN / Three letter code: FYR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CIB
History
Create componentJul 8, 2020
Initial releaseDec 2, 2020
External linksUniChem / ChemSpider / Brenda / ChEMBL / CompTox / 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 3.385OC(=O)c1ccc(cc1O)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(c(c2)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1ccc(cc1O)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(c(c2)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C13H10O3/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)

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InChIKey

InChI 1.03IDXMMAOAJXZWSS-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7cib:
Crystal structure of P.aeruginosa LpxC in complex with inhibitor

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