Lipid peroxidation contributes to the development of autism spectrum disorder (ASD). Polyunsaturated fatty acids (PU-FAs) undergo lipid peroxidation, and conversion to malondialdehyde (MDA). MDA reacts with acetaldehyde to form malondialdehyde-modified low-density lipoprotein (MDA-LDL). MDA-LDL is known as a marker of lipid peroxidation.However, the association between PUFAs and MDA-LDL in the pathophysiology of ASD is unclear. We studied this association in 18 young individuals with ASD and 8 age-and sex-matched normal healthy controls. Social behaviors were assessed using the Social Responsiveness Scale (SRS). To overcome the small sample size, three measures were conducted: firstly, adaptive Lasso was used to enhance the accuracy of interpretability; second, the coefficient of variation was estimated for appropriate variable selection; and finally, appropriate variables were selected. Plasma MDA levels and DHA/omega 6 PUFA arachidonic acid ratio were significantly higher, whereas plasma levels of superoxide dismutase were significantly lower in the ASD group than in the control group. The total SRS scores in the ASD group were significantly higher than those in the control group. Multiple linear regression analysis and the adaptive Lasso revealed association of increased plasma DHA/ARA ratio with the SRS total scores and increased plasma MDA-LDL levels. These associations between plasma DHA/ARA ratio and increased plasma MDA-LDL levels contributed to autistic social behaviors.