Abstract
Abstract We have carried out theoretical calculations that suggest that C4 carbon-centered radical formation in ( E )- and (13 Z )-retinoic acid, catalyzed by cytochromes P450 and PGH synthase, occur by a direct H-atom abstraction mechanism rather than an electron abstraction mechanism. In addition, our calculations indicate that C4 radical formation in the 13 Z -isomer is thermochemically preferred compared with the all trans -isomer.
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