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- ChemComp-5VL: 2-(2-hydroxyphenyl)phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: 5VL
NameName: 2-(2-hydroxyphenyl)phenol

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Chemical information

Composition
Formula: C12H10O2 / Number of atoms: 24 / Formula weight: 186.207 / Formal charge: 0
Others

5f6v

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5VL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F6V
History
Create componentDec 9, 2015
Initial releaseApr 27, 2016
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 3.385Oc1ccccc1c2ccccc2O
OpenEye OEToolkits 2.0.4c1ccc(c(c1)c2ccccc2O)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccccc1c2ccccc2O
OpenEye OEToolkits 2.0.4c1ccc(c(c1)c2ccccc2O)O

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InChI

InChI 1.03InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H

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InChIKey

InChI 1.03IMHDGJOMLMDPJN-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.42-(2-hydroxyphenyl)phenol

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PDB entries

Showing all 4 items

PDB-5f6v:
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen)

PDB-5f6w:
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol)

PDB-5phc:
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09649a

PDB-8doi:
Dehaloperoxidase B in complex with 2,2'-Biphenol

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