Lloyd Catherine May c.lloyd@auckland.ac.nz The University of Auckland The Bioengineering Institute 2002-06-14 The University of Auckland, Bioengineering Institute A Generic Model Of Fatty Acid Synthesis Below is a CellML description of a general model of fatty acid synthesis. It is not based on a specific published mathematical model, but instead it is based on a textbook defined pathway. The general sequential structure and all the reactant, product and enzyme components are included. Michaelis-Menten enzyme kinetics are assumed. The purpose of this description is to illustrate how CellML can be used to model a general metabolic pathway. Catherine Lloyd Homo sapiens keyword metabolism Bronk J Ramsey Human Metabolism 1999 Addison Wesley Longman Limited location England $\frac{d \mathrm{Acetyl\_CoA}}{d \mathrm{time}}=\mathrm{delta\_Acetyl\_CoA\_rxn0}$ $\frac{d \mathrm{Malonyl\_CoA}}{d \mathrm{time}}=\mathrm{delta\_Malonyl\_CoA\_rxn1}$ $\frac{d \mathrm{Malonyl\_ACP}}{d \mathrm{time}}=\mathrm{delta\_Malonyl\_ACP\_rxn1}+\mathrm{delta\_Malonyl\_ACP\_rxn3}$ $\frac{d \mathrm{Acetyl\_ACP}}{d \mathrm{time}}=\mathrm{delta\_Acetyl\_ACP\_rxn0}+\mathrm{delta\_Acetyl\_ACP\_rxn2}$ $\frac{d \mathrm{Acetoacetyl\_ACP}}{d \mathrm{time}}=\mathrm{delta\_Acetoacetyl\_ACP\_rxn3}+\mathrm{delta\_Acetoacetyl\_ACP\_rxn4}$ $\frac{d \mathrm{D\_beta\_Hydroxybutyryl\_ACP}}{d \mathrm{time}}=\mathrm{delta\_D\_beta\_Hydroxybutyryl\_ACP\_rxn4}+\mathrm{delta\_D\_beta\_Hydroxybutyryl\_ACP\_rxn6}$ $\frac{d \mathrm{alpha\_beta\_trans\_Butenoyl\_ACP}}{d \mathrm{time}}=\mathrm{delta\_alpha\_beta\_trans\_Butenoyl\_ACP\_rxn6}+\mathrm{delta\_alpha\_beta\_trans\_Butenoyl\_ACP\_rxn5}$ $\frac{d \mathrm{Butyryl\_ACP}}{d \mathrm{time}}=\mathrm{delta\_Butyryl\_ACP\_rxn5}$ $\frac{d \mathrm{CoA\_SH}}{d \mathrm{time}}=\mathrm{delta\_CoA\_SH\_rxn0}+\mathrm{delta\_CoA\_SH\_rxn1}$ $\frac{d \mathrm{CE\_SH}}{d \mathrm{time}}=\mathrm{delta\_CE\_SH\_rxn3}+\mathrm{delta\_CE\_SH\_rxn0}+\mathrm{delta\_CE\_SH\_rxn2}$ $\frac{d \mathrm{ACP\_SH}}{d \mathrm{time}}=\mathrm{delta\_ACP\_SH\_rxn2}+\mathrm{delta\_ACP\_SH\_rxn1}$ $\frac{d \mathrm{CO2}}{d \mathrm{time}}=\mathrm{delta\_CO2\_rxn3}$ $\frac{d \mathrm{Acetyl\_S\_CE}}{d \mathrm{time}}=\mathrm{delta\_Acetyl\_S\_CE\_rxn2}+\mathrm{delta\_Acetyl\_S\_CE\_rxn3}$ $\frac{d \mathrm{NADPH}}{d \mathrm{time}}=\mathrm{delta\_NADPH\_rxn4}+\mathrm{delta\_NADPH\_rxn5}$ $\frac{d H}{d \mathrm{time}}=\mathrm{delta\_H\_rxn4}+\mathrm{delta\_H\_rxn5}$ $\frac{d \mathrm{NADP}}{d \mathrm{time}}=\mathrm{delta\_NADP\_rxn4}+\mathrm{delta\_NADP\_rxn5}$ $\frac{d \mathrm{H2O}}{d \mathrm{time}}=\mathrm{delta\_H2O\_rxn6}$ $\mathrm{rate}=\frac{\mathrm{Acetyl\_CoA}\mathrm{CE\_SH}\mathrm{vmax0}}{\mathrm{km0}+\mathrm{Acetyl\_CoA}+\mathrm{CE\_SH}}$ $\mathrm{rate}=\frac{\mathrm{Malonyl\_CoA}\mathrm{ACP\_SH}\mathrm{vmax1}}{\mathrm{km1}+\mathrm{Malonyl\_CoA}+\mathrm{ACP\_SH}}$ $\mathrm{rate}=\mathrm{k2}\mathrm{CE\_SH}\mathrm{Acetyl\_ACP}$ $\mathrm{rate}=\mathrm{k3}\mathrm{Acetyl\_S\_CE}\mathrm{Malonyl\_ACP}$ $\mathrm{rate}=\frac{\mathrm{Acetoacetyl\_ACP}\mathrm{NADPH}H\mathrm{vmax4}}{\mathrm{km4}+\mathrm{Acetoacetyl\_ACP}+\mathrm{NADPH}+H}$ $\mathrm{rate}=\frac{\mathrm{NADPH}H\mathrm{alpha\_beta\_trans\_Butenoyl\_ACP}\mathrm{vmax5}}{\mathrm{km5}+\mathrm{NADPH}+H+\mathrm{alpha\_beta\_trans\_Butenoyl\_ACP}}$ $\mathrm{rate}=\frac{\mathrm{D\_beta\_Hydroxybutyryl\_ACP}\mathrm{vmax6}}{\mathrm{km6}+\mathrm{D\_beta\_Hydroxybutyryl\_ACP}}$