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- ChemComp-FEH: (1R)-1-phenylethane-1,2-diol -

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Basic information

EntryDatabase: PDB chemical components / ID: FEH
NameName: (1R)-1-phenylethane-1,2-diol

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Chemical information

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

3wlf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FEH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WLF
History
Create componentNov 27, 2013
Initial releaseJul 16, 2014
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 12.01OC(c1ccccc1)CO
CACTVS 3.385OC[CH](O)c1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(CO)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H](O)c1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)[C@H](CO)O

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InChI

InChI 1.03InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m0/s1

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InChIKey

InChI 1.03PWMWNFMRSKOCEY-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1R)-1-phenylethane-1,2-diol
OpenEye OEToolkits 1.7.6(1R)-1-phenylethane-1,2-diol

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PDB entries

Showing all 4 items

PDB-3wlf:
Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with (R)-1-phenyl-1,2-ethanediol

PDB-5tni:
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted S-Styrene oxide hydrolysis intermediate

PDB-5tnp:
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted Styrene oxide hydrolysis intermediate

PDB-5tnq:
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (R)-Styrene oxide hydrolysis intermediate

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