How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional Study
- 2 August 2001
- journal article
- research article
- Published by Wiley in Angewandte Chemie International Edition in English
- Vol. 40 (15) , 2871-2874
- https://doi.org/10.1002/1521-3773(20010803)40:15<2871::aid-anie2871>3.0.co;2-r
Abstract
The suicidal complex 42, which inactivates cytochrome P450 during olefin epoxidation, was shown by density functional calculations to be formed from the same high‐spin intermediate (41‐III) that leads to stereochemical scrambling.Keywords
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