Determining conserved metabolic biomarkers from a million database queries

Michael E. Kurczy, Julijana Ivanisevic, Caroline H. Johnson, Winnie Uritboonthai, Linh Hoang, Mingliang Fang, Matthew Hicks, Anthony Aldebot, Duane Rinehart, Lisa J. Mellander, Ralf Tautenhahn, Gary J. Patti (+3 others)
2015 Bioinformatics  
Motivation: Metabolite databases provide a unique window into metabolome research allowing the most commonly searched biomarkers to be catalogued. Omic scale metabolite profiling, or metabolomics, is finding increased utility in biomarker discovery largely driven by improvements in analytical technologies and the concurrent developments in bioinformatics. However, the successful translation of biomarkers into clinical or biologically relevant indicators is limited. Results: With the aim of
more » ... ving the discovery of translatable metabolite biomarkers, we present search analytics for over one million METLIN metabolite database queries. The most common metabolites found in METLIN were cross-correlated against XCMS Online, the widely used cloudbased data processing and pathway analysis platform. Analysis of the METLIN and XCMS common metabolite data has two primary implications: these metabolites, might indicate a conserved metabolic response to stressors and, this data may be used to gauge the relative uniqueness of potential biomarkers. Availability and implementation. METLIN can be accessed by logging on to: https://
doi:10.1093/bioinformatics/btv475 pmid:26275895 pmcid:PMC4836397 fatcat:7fck6fegnrcjhli7bjjvtzh3ty