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Dataset Open Access

Metabolomics WorkBench Compound Dictionary

Dinesh Kumar Barupal


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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.5860638", 
  "author": [
    {
      "family": "Dinesh Kumar Barupal"
    }
  ], 
  "issued": {
    "date-parts": [
      [
        2022, 
        1, 
        16
      ]
    ]
  }, 
  "abstract": "<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>", 
  "title": "Metabolomics WorkBench Compound Dictionary", 
  "type": "dataset", 
  "id": "5860638"
}
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