We have developed a genome-scale isotope mapping model, imEco726, based on the iAF1260 metabolic reconstruction of Escherichia coli. This model contains reaction atom transition for all reactions capable of carrying flux in wild type E. coli grown aerobically in minimal media using glucose as the sole carbon source. This model traces the path of all carbon atoms in the model including peripheral metabolic pathways such as cofactor, lipid, and nucleotide biosynthesis. The atom transitions were generated using the CLCA algorithm and then converted to an IUPAC-based numbering scheme for ease of use. In addition to this, multiple mapping considerations rotationally symmetric molecules (e.g., succinate) and equivalent groups have been accounted for and included in the atom mapping data file.
Saratram Gopalakrishnan and Costas D. Maranas (2015), "13C metabolic flux analysis at a genome-scale," Metabolic Engineering, Available online 8 September 2015, ISSN 1096-7176.
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