January 16, 2022 Dataset Open Access

Dinesh Kumar Barupal

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{
  "description": "<p>mwTAB file for each study in the Metabolomics Workbench (https://www.metabolomicsworkbench.org/) was processed through an automated data merging pipeline. It yielded ~135,000 unique chemical names, ~9000 PubChem CIDs, ~6000 KEGG IDs, ~2100 CAS Numbers and&nbsp;~2400 HMDB IDs&nbsp;that were submitted to the Metabolomics WorkBench repository.&nbsp;</p>\n\n<p>workbench_curated_compound_list.csv contains some of the curated compound names. Basic curation has happened to connect metabolites names to PubChem identifiers.&nbsp;</p>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Icahn School of Medicine at Mount Sinai", 
      "@type": "Person", 
      "name": "Dinesh Kumar Barupal"
    }
  ], 
  "url": "https://zenodo.org/record/5860638", 
  "datePublished": "2022-01-16", 
  "keywords": [
    "metabolomics"
  ], 
  "@context": "https://schema.org/", 
  "distribution": [
    {
      "contentUrl": "https://zenodo.org/api/files/870c80be-c29c-4793-98d0-02d512e5f432/metabolomicsworkbench_cpds_V1.csv", 
      "encodingFormat": "csv", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/870c80be-c29c-4793-98d0-02d512e5f432/workbench_curated_compound_list.csv", 
      "encodingFormat": "csv", 
      "@type": "DataDownload"
    }
  ], 
  "identifier": "https://doi.org/10.5281/zenodo.5860638", 
  "@id": "https://doi.org/10.5281/zenodo.5860638", 
  "@type": "Dataset", 
  "name": "Metabolomics WorkBench Compound Dictionary"
}