A web-based data source for metabolomics

With the development of improved and cost-effective technologies, it is now possible to detect thousands of metabolites in biofluids or specific organs, and reliably quantify their amounts. Metabolomics focuses on studying the concentrations of metabolites in a cell or a tissue. In this paper, we describe a prototype Web-based metabolomics data analysis system, PathCase^MAW (pathcase metabolomics analysis workbench), which features (1) A Web-accessible metabolic pathway database that supports online browsing and querying, and is novel in that it includes tissue and subcompartment information for pathways, and models transport processes, (2) Tissue-aware visualization support for viewing processes, pathways, or groups of pathways in PathCase^MAW database, and (3) An online metabolomics data analysis tool, called automated consequence prediction tool, which allows users to upload their own observed/measured metabolite level changes, and computationally invalidates or M(aybe)-validates those biological mechanisms that produce the observed metabolite changes.