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
- 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.
5) Formats, Standards