Table 2 Comparison of concentration data between literature and model (mmol/L) at different time points of the simulation.

Metabolite	Conc. (literature) \([\)mmol/L\(]\)	Model conc. at starting point	Model conc. during glycolysis	Model conc. during \(\beta\)-oxidation	Model conc. at the end of simulation	SD over mean
Acetyl-CoA	0.07²	0.070	0.071	0.060	0.060	0.002
Oxaloacetate	0.002–0.006³²	0.006	0.005	0.001	0.001	0.126
Citrate	0.114³³	0.190	0.184	0.115	0.110	0.031
Isocitrate cis-aconitate	0.002–0.006³⁵	0.020	0.017	0.010	0.009	0.091
\(\alpha\)-ketoglutarate	0.004–0.013³⁷	0.030	0.031	0.023	0.022	0.085
Succinyl-CoA succinate	0.36–0.91³⁸	0.730	0.720	0.691	0.690	0.011
Fumarate	0.485²⁹	0.485	0.488	0.490	0.490	0.012
Malate	0.495³⁶	0.495	0.495	0.489	0.488	0.010

Comparison of concentration data between literature and model (mmol/L) at different time points of the simulation (20th second during glycolysis and 9000th second during beta-oxidation).
SD standard deviation.

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