Superfund Research Program
Biomarkers of Exposure to Hazardous Substances
Center Director: Bruce D. Hammock
Grant Number: P42ES004699
Funding Period: 1987-2023
Program Links
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