Folded and unfolded conformations of the omega-3 polyunsaturated fatty acid family: CH3CH2[CH=CHCH2](sub B)[CH2](sub M)COOH. First principles study

The omega-3 polyunsaturated fatty acids (PUFA) like stearidonic acid (SDA), eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) and its chain fragment models are studied and significant conformations are selected for the cis and trans isomers to obtain the thermodynamic functions for the cis-trans isomerization and for folding. The structural analysis has shown some significant differences in thermodynamic function of the trans- and cis-PUFAs.