Equivalence of metabolite fragments and flow analysis of isotopomer distributions for flux estimation

Ari Rantanen, Hannu Maaheimo, Esa Pitkänen, Juho Rousu, Esko Ukkonen

Research output: Chapter in Book/Report/Conference proceedingConference article in proceedingsScientificpeer-review

1 Citation (Scopus)


The most accurate estimates of the activity of metabolic pathways are obtained by conducting isotopomer tracer experiments. The success of this method, however, is intimately dependent on the quality and amount of data on isotopomer distributions of intermediate metabolites. In this paper we present a novel method for discovering sets of metabolite fragments that always have identical isotopomer distributions, regardless of the velocities of the reactions in the metabolic network. We outline several applications of this equivalence concept, including improved propagation of measurements, experiment planning and consistency checking of metabolic network. Our computational experiments in measurement propagation indicate that the improvement via the use of this technique may be substantial.
Original languageEnglish
Title of host publicationTransactions on Computational Systems Biology VI
EditorsCorrado Priami, Gordon Plotkin
Place of PublicationBerlin - Heidelberg
ISBN (Electronic)978-3-540-46236-1
ISBN (Print)978-3-540-45779-4
Publication statusPublished - 2006
MoE publication typeA4 Article in a conference publication

Publication series

SeriesTransactions on Computational Systems Biology
SeriesLecture Notes in Computer Science


Cite this

Rantanen, A., Maaheimo, H., Pitkänen, E., Rousu, J., & Ukkonen, E. (2006). Equivalence of metabolite fragments and flow analysis of isotopomer distributions for flux estimation. In C. Priami, & G. Plotkin (Eds.), Transactions on Computational Systems Biology VI (pp. 198-220). Springer. Transactions on Computational Systems Biology, Vol.. VI, Lecture Notes in Computer Science, Vol.. 4420 https://doi.org/10.1007/11880646_9