Published April 11, 2024 | Version v7
Dataset Open

Metabolomics WorkBench Compound Dictionary

  • 1. Icahn School of Medicine at Mount Sinai


mwTAB file for each study in the Metabolomics Workbench ( was processed through an automated data merging pipeline. It yielded -


  • ~237,333 unique chemical names
  • ~13,810 PubChem CIDs
  • ~14,298 KEGG IDs
  • ~5,130 CAS Numbers
  • - 147 unique species
  • - 175 unique sample type


Note: workbench_curated_compound_list.csv contains some of the curated compound names. Basic curation has happened to connect metabolites names to PubChem identifiers. 




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