Links

1) metabolomics databases

• Metlin Metabolite Database, a metabolite mass spectral database maintained by the Scripps Institute
• metabocard database, provided by he Human Metabolome Project.
• Golm Metabolome Database provides public access to mass spectra libraries, metabolite profiling experiments and other.
• Spectral Database for Organic Compounds SDBS provides access to spectra of organic compounds (NMR, MS, IR).

2) Pathway databases

• Sigma Aldrich clickable metabolic pathway map.
• Nicholson minimaps give an overview of major individual metabolic pathways.
• MetaCyc is a database of nonredundant, experimentally elucidated metabolic pathways (<300 organisms).
• KEGG pathways, molecular interaction networks, metabolic & regulatory pathways, molecular complexes.
• ExPASy biochemical and metabolic pathways.

3 Information on metabolites and biofluids

• PubChem (NIH) provides information on the biological activities of small molecules
• Frontiers in Bioscience contains info on properties of metabolites, reference values in biological fluids.
• ChemFinder database provides chemical structures, physical properties, and hyperlinks.
• PRODRG(Dundee) converts coordinates for small molecules in PDB format to other topology formats
• Cambridge Structural Database world repository of small molecule crystal structures
• Ligand Depot Resource for small molecules bound to proteins and nucleic acids
• Chemical Abstract services Worlds largest information source on small molecules
• NIST Physical Reference Datanase
• NIST Chemical formula Database
• HUSERMET Project aiming at a reference baseline for prognostic and diagnostic biomarkers for disease progression

lipids:

• Lipidbank is a database system offering information on lipids.
• Lipid library, a series of web documents serving lipid analysts.
• Lipid maps Consortium will seek to identify and measure the amounts of all lipids within a cell.
• Lipids Online, the online resource on atherosclerosis, dyslipidemia and lipid management.
• Lipid data base is a convenient gateway to the world of lipids and related materials.
• Lipidomics expert platform is a established by the European Lipidomics Initiative

4) Societies, groups, companies

• Metabolomics Society, newly established and website partly under construction, may become a useful resource.

research groups: Loyd Sumner group at Noble; Bioanalytical Sciences Group at the University of Manchester; Fiehn metabolomics lab at UCDavis; Analytical Biosciences Group (Van de Greef & Hankemeijer) at Leiden University.

companies: * Lipomics; Metabolon; Metabometrix; Metanomics; Phenomenome; Surromed; Chenomx

5) Formats, Standards

• SMRS, community driven specification for reporting of Metabolomic experiments and a standard file transfer format for the data.
• RSBI, the Reporting Structure for Biological Investigations Working Groups