Annotation of Metabolites in Stable Isotope Tracing Untargeted Metabolomics via Khipu-web.

ABSTRACT: Stable isotope tracing is a crucial technique for understanding the metabolic wiring of biological systems, determining metabolic flux through pathways of interest, and detecting novel metabolites and pathways. Despite the potential insights provided by this technique, its application remains limited to a small number of targeted molecules and pathways. Because previous software tools usually require chemical formulas to find relevant features, and the data are highly complex, especially in untargeted metabolomics and when the downstream reactions and metabolites are poorly characterized. We report here Khipu version 2 and its new user-friendly web application. New functions are added to enhance analyzing stable isotope tracing data including metrics that evaluate peak enrichment in labele

SUBMITTER: Mitchell JM 

PROVIDER: S-EPMC11623168 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature