Phenotypically driven subgroups of ASD display distinct metabolomic profiles

•Phenotypically driven subgroups of ASD children from the Simons Simplex Collection displayed distinct metabolomic profiles.•Children with the highest degree of ASD impairment demonstrated aberrant lipid metabolism with increased lipid oxidation.•Children with better IQ scores and some maladaptive behaviors showed increased levels of fatty acids and sphingolipids.•Children with less maladaptive behaviors had decreased lipid metabolism but increased levels of nucleotides and amino acids.