Systems-level analysis of isotopic labeling in untargeted metabolomic data by X¹³CMS.

ABSTRACT: Identification of previously unreported metabolites (so-called 'unknowns') in untargeted metabolomic data has become an increasingly active area of research. Considerably less attention, however, has been dedicated to identifying unknown metabolic pathways. Yet, for each unknown metabolite structure, there is potentially a yet-to-be-discovered chemical transformation. Elucidating these biochemical connections is essential to advancing our knowledge of cellular metabolism and can be achieved by tracking an isotopically labeled precursor to an unexpected product. In addition to their role in mapping metabolic fates, isotopic labels also provide critical insight into pathway dynamics (i.e., metabolic fluxes) that cannot be obtained from conventional label-free metabolomic analyses. When label

SUBMITTER: Llufrio EM 

PROVIDER: S-EPMC7323898 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature