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Nucleic Acids Res. 2016 Jan 4;44(D1):D463-70. doi: 10.1093/nar/gkv1042. Epub 2015 Oct 13.

Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools.

Author information

1
San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92037, USA.
2
University of Michigan, 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105, USA.
3
University of Florida, 2250 Shealy Drive, Gainesville, FL 32608, USA.
4
University of California, Davis, 451 Health Sciences Dr, Davis, CA 95616, USA.
5
University of Kentucky, 789 S. Limestone, 521 Biopharm Bldg, Lexington, KY 40536, USA.
6
Mayo Clinic, 200 First street SW, Rochester, MN 55902, USA.
7
RTI International, 3040 Cornwallis Rd, Research Triangle Park, NC 27709, USA.
8
San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92037, USA Departments of Bioengineering, Computer Science and Engineering, Cellular and Molecular Medicine, and Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA 92093, USA shankar@ucsd.edu.

Abstract

The Metabolomics Workbench, available at www.metabolomicsworkbench.org, is a public repository for metabolomics metadata and experimental data spanning various species and experimental platforms, metabolite standards, metabolite structures, protocols, tutorials, and training material and other educational resources. It provides a computational platform to integrate, analyze, track, deposit and disseminate large volumes of heterogeneous data from a wide variety of metabolomics studies including mass spectrometry (MS) and nuclear magnetic resonance spectrometry (NMR) data spanning over 20 different species covering all the major taxonomic categories including humans and other mammals, plants, insects, invertebrates and microorganisms. Additionally, a number of protocols are provided for a range of metabolite classes, sample types, and both MS and NMR-based studies, along with a metabolite structure database. The metabolites characterized in the studies available on the Metabolomics Workbench are linked to chemical structures in the metabolite structure database to facilitate comparative analysis across studies. The Metabolomics Workbench, part of the data coordinating effort of the National Institute of Health (NIH) Common Fund's Metabolomics Program, provides data from the Common Fund's Metabolomics Resource Cores, metabolite standards, and analysis tools to the wider metabolomics community and seeks data depositions from metabolomics researchers across the world.

PMID:
26467476
PMCID:
PMC4702780
DOI:
10.1093/nar/gkv1042
[Indexed for MEDLINE]
Free PMC Article

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