National Metabolomics Data Repository

As of 09/27/20 the National Metabolomics Data Repository (NMDR) contains 1245 publicly available studies.
A total of 1416 studies have been processed by the NMDR and the remainder (171) will be made available subject to their embargo dates.

Recently released studies on NMDR

ST001434 - Untargeted lipidomics of liver to assess the potential protective role in atherosclerosis progression of A12 antibodies infusion into LDLR-/-mice; Mus musculus; Centro Nacional de Investigaciones Cardiovasculares Carlos III

ST001490 - Plasma lipidomic profiles after a low and high glycemic load dietary pattern in a randomized controlled cross over feeding study; Homo sapiens; Fred Hutchinson Cancer Research Center

ST001414 - Pseudomonas aeruginosa cystic fibrosis clinical isolates volatile metabolomics; Pseudomonas aeruginosa; Arizona State University

Exemplary Studies

A list of exemplary studies are listed here which adhere to the submission guidelines of Metabolomics Workbench. Specifically, publically available studies having all or most of the features below were identified as exemplary studies.

• Well-written study summary
• Detailed metadata for collection/treatment/chromatography/MS/NMR, etc.
• Post-processing details
• Presence of control samples
• Raw data availability for samples and controls
• One-to-one mapping of sample names to raw data file name
• Internal standards (with measurements)
• Clear and organized metabolite annotations

These include different analysis (GC-MS, LC-MS, NMR) and species type. We recommend looking at these studies as a model example before submitting to Metabolomics Workbench.

Convert your metabolite name to standardized nomenclature via RefMet

Highlights

August, 2020

Metabolomics Workbench Metabolite Database: The Metabolomics Workbench Metabolite Database contains structures and annotations of biologically relevant metabolites. As of August, 2020, the database contains about 136,000 entries, collected from public sources such as LIPID MAPS, ChEBI, HMDB, PubChem, NP Atlas , CHEMBL and KEGG. The Metabolite Database is integrated with the NMDR data repository, providing links to studies reporting each metabolite. It is also integrated with the RefMet standardized reference nomenclature, providing structural information to metabolite species where applicable.

LION/Web LION Enrichment analysis collaboration with NMDR:
The Metabolomics Workbench is collaborating with LION/Web (http://www.lipidontology.com) to provide an efficient way to perform ontology enrichment analysis on lipidomics data contained in NMDR studies. LION/Web has incorporated a a REST service into their online application to enable users to specify an NMDR study id of interest which extracts the relevant metabolomics data/metadata from the NMDR repository where it can then be manipulated in the LION/Web enrichment analysis workflow.

Metabolomics News

• Jupyter Notebooks has been released to analyze studies

  Analysis of all the studies in Metabolomics workbench can now be done by launching Jupyter Notebooks The notebooks can be launched at Binder. Alternatively, you may download notebooks from Github repository.

• Individual mwTab file for all studies can now be viewed and downloaded as JSON format.

news archive