Title : Oxidative dehalogenation of perhalogenated benzenes by cytochrome P450 compound I.

Pub. Date : 2007 May 22

PMID : 17455915






1 Functional Relationships(s)
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1 Resolution of the identity PBE (RI-PBE) and B3LYP density functional theory calculations are used to understand the cytochrome P450-catalyzed, Compound I-mediated oxidation of perchlorobenzenes, perfluorobenzenes, their phenols, and mixed chlorofluorobenzenes to form benzoquinones. Benzoquinones enoyl-CoA hydratase and 3-hydroxyacyl CoA dehydrogenase Homo sapiens