Metabolomic Database

Metabolomics is a data intensive discipline whose workflow is characterized by extensive use of databases. Database applications range from compound identification (e.g. exact mass, GC-EI spectrum or MS/MS spectrum comparison) to data integration and visualization (assignment of compounds to reactions, pathways, cell compartments, etc.).Metabolomics is a newborn cousin to genomics and proteomics. Specifically, metabolomics involves the rapid, high throughput characterization of the small molecule metabolites found in an organism. The metabolome is closely tied to the genotype of an organism, its physiology and its environment (what the organism eats or breathes), metabolomics offers a unique opportunity to look at genotype-phenotype as well as genotype-envirotype relationships. Metabolomics is increasingly being used in a variety of health applications including pharmacology, pre-clinical drug trials, toxicology, transplant monitoring, newborn screening and clinical chemistry. However, a key limitation to metabolomics is the fact that the human metabolome is not at all well characterized.

  • NMR spectral databases
  • MS or MS/MS spectral databases
  • Compound databases
  • Pathway databases
  • Comprehensive metabolomic databases
  • Yeast metabolome database
  • The human serum metabolome database
  • The urine metabolome database

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