The most commonly employed analytical tools used in high-throughput metabolic profiling, known as metabolomics or metabonomics, are nuclear magnetic resonance (NMR) and mass spectrometry (MS). However, bioinformatics resources for identifying common metabolites from experimental NMR and MS data have been limited. The Madison Metabolomics Consortium Database (MMCD) is a web-based tool that contains data pertaining to biologically-relevant small molecules from a variety of species. The MMCD contains information on 20,306 metabolites and other small molecules of biological interest. These molecules, which were chosen from entries in KEGG, BioCyc, CHEBI, HMDB, UM-BBD, and PDB, represent a collection of primary and secondary metabolites, xenobiotics, and common small molecule contaminants. A total of 477 small molecule entries contain experimental NMR data from the growing BMRB collection. The MMCD is equipped with a flexible and efficient query system that supports complex queries from any combination of its five basic search engines: text, structure, NMR, mass, and miscellanea. Results returned give users access to all of the MMCD information about a molecule and offer direct links to records in other public databases.
metabolic and signaling pathways metabolic and signaling pathways