Efficient modeling of 13C-labeling distributions in microorganisms

Abstract

Metabolic networks can be analysed using 2D [ 13 C, 1 H] COSY (NMR) measurements of 13 C-labeled metabolites. A framework is presented whereby the steady state reaction rates are deduced from conventional isotopomer balances. This model is reduced by removing redundant nodes and lumping equilibrium pools. Conversion of the balances to the recently introduced bondomer notation further reduces the complexity. When the reduction approaches are applied to the glycolysis and pentose phosphate pathway, the number of equations is reduced by a factor of three without loss of information.