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University of California-Davis: Dataset Details, ID=PIWXID

Superfund Research Program

Biomarkers of Exposure to Hazardous Substances

Center Director: Bruce D. Hammock
Grant Number: P42ES004699
Funding Period: 1987-2023
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Title: CCDC 639662: Experimental Crystal Structure Determination

Accession Number: PIWXID

Link to Dataset: https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=PIWXID

Repository: Cambridge Structural Database (CSD)

Data Type(s): 3D Structural

Experiment Type(s): Single-crystal X-ray Diffraction

Summary: 1,1,1-Trifluoro-3-(octane-1-sulfinyl)propane-2,2-diol

Publication(s) associated with this dataset:
  • Wheelock CE, Nishi K, Jones PD, Colvin ME, Olmstead MM, Hammock BD. 2008. Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hydrolase (FAAH). Bioorg Med Chem 16(4):2114-2130. doi:10.1016/j.bmc.2007.10.081 PMID:18023188 PMCID:PMC2720161
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