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- ChemComp-YRL: 4-(2-hydroxyethyl)phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: YRL
NameName: 4-(2-hydroxyethyl)phenol / Synonyms: p-tyrosol

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Chemical information

Composition
Formula: C8H10O2 / Number of atoms: 20 / Formula weight: 138.164 / Formal charge: 0
Others

4p6t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: YRL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4P6T
History
Create componentMar 25, 2014
Initial releaseJul 30, 2014
Modify descriptorSep 5, 2014
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 12.01Oc1ccc(cc1)CCO
CACTVS 3.385OCCc1ccc(O)cc1
OpenEye OEToolkits 1.9.2c1cc(ccc1CCO)O

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SMILES CANONICAL

CACTVS 3.385OCCc1ccc(O)cc1
OpenEye OEToolkits 1.9.2c1cc(ccc1CCO)O

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InChI

InChI 1.03InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2

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InChIKey

InChI 1.03YCCILVSKPBXVIP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(2-hydroxyethyl)phenol
OpenEye OEToolkits 1.9.24-(2-hydroxyethyl)phenol

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PDB entries

Showing all 4 items

PDB-4p6t:
Crystal Structure of tyrosinase from Bacillus megaterium with p-tyrosol in the active site

PDB-7ofs:
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol

PDB-9g5f:
The structure of Aspergillus fumigatus UDP-GlcNAc pyrophosphorylase in complex with a fragment

PDB-9g5o:
The structure of Aspergillus fumigatus UDP-GlcNAc pyrophosphorylase in complex with a fragment

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