The Human Metabolome Database (HMBD) is the largest metabolism / metabolite database:

• 2180 endogenous / synthesized metabolites mined from thousands of books, journals, and other online databases – as well as from own studies involving MS and NMR on urine, blood, and cerebrospinal fluids.  Studies done in their own lab involved perturbing pathways and using deduction to understand metabolites.
• 90 metadata fields for each metabolite member in the database.  This  includes  comprehensive compound description, names and synonyms, structural information, physico-chemical data, reference NMR and MS spectra, biofluid concentrations, disease associations, pathway information, enzyme data, gene sequence data, SNP and mutation data as well as extensive links to images, references and other public databases, etc.

  

• Search and Navigation Tools for browsing the database.  Browsing can occur at the levels of metabolites, diseases, pathways, biofluids, classes, proteins, and reactions. Searching can be accomplished through various input including: text, structure, sequence, MS data, GC data, and NMR data (input spectra or peak lists).  Site also includes its own local BLAST function.

These metabolites are further connected to some 115 non-redundant pathways, 2080 distinct enzymes, 110 000 SNPs as well as 862 metabolic diseases (genetic and acquired). More than 400 compounds are also linked to experimentally acquired ‘reference’ H and C NMR and MS/MS spectra. Concentration data (normal and abnormal values) for plasma, urine, CSF and/or other biofluids are also provided for a total of 883 compounds. The entire database, including text, sequence, structure and image data occupies nearly 18 GB of data—most of which can be freely downloaded.

To navigate NMBD, go to  http://www.hmdb.ca/