Experimentally observed and simulated isotopomer labeling patterns [M-57]⁺ in proteinogenic amino acids.

Abstract

<p>The standard error for GC-MS measurement was below 0.02. <b>A1</b>: dynamic isotopomer simulation for glutamate from dFBA without considering reaction reversibility (dFBA w/o reversibility). <b>A2</b>: dynamic isotopomer simulation for glutamate from dFBA considering reaction reversibility (dFBA w/ reversibility). Bar plot: comparison of experimentally observed isotopomer labeling to simulated isotopomer labeling patterns of glutamate (<b>A1</b>: without considering reaction reversibility; <b>A2</b>: considering reaction reversibility). <b>B</b>: The model fitting of the isotopomer labeling data of five key amino acids (Ala, Gly, Ser, Asp, and Glu) at t = 24 and 30 h.</p