Abstract
The conformations of 2,3-diformylglycerol, a model compound of the diacylglycerol portion of phospholipids, were analyzed both by the classical potential function method and by the INDO molecular orbital method. The results suggest that in membranes, the conformation of the diacylglycerol portion of phospholipids is such that the two ester planes of the β- and γ-hydrocarbon chains stack in an antiparallel way with the dihedral angles β′{C(3)C(2)O(21)C(21)} ≅ 270° and γ 1{C(2)C(3)O(31)C(31)} ≅ 270°.
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