The mitochondrial fatty acid oxidation pathway as it modelled.

Different colours denote the carnitine shuttle (dark brown), the enzymes in the β-oxidation (white) and model extensions (purple) compared to [20] which were implemented in the last part of this paper. CPT1: carnitine palmitoyltransferase 1, CACT: carnitine acylcarnitine translocase, CPT2: carnitine palmitoyltransferase 2, SCAD: short-chain acyl-CoA dehydrogenase, MCAD: medium-chain acyl-CoA dehydrogenase, LCAD: long-chain acyl-CoA dehydrogenase (not present in human mFAO), VLCAD: very-long-chain acyl-CoA dehydrogenase, CROT: crotonase, M/SCHAD: medium/short-chain hydroxyacyl-CoA dehydrogenase, MCKAT: medium-chain ketoacyl-CoA thiolase, MTP: mitochondrial trifunctional protein, ETF: electron transfer flavoprotein, ETC: electron transport chain, ACOT: acyl-CoA thioesterases, PDH: pruyvate dehydrognase, SCFAs: short-chain fatty acids. Conserved moiety: total concentration of all CoA species in the matrix. Boundary conditions: Matrix concentrations of NADH, NAD+, FADH2, FAD+, acetyl-CoA, free carnitine and cytosolic concentrations of free CoA, free carnitine, malonyl-CoA and palmitoyl-CoA were kept constant.