Published April 11, 2024 | Version v7
Dataset Open

Metabolomics WorkBench Compound Dictionary

  • 1. Icahn School of Medicine at Mount Sinai

Description

mwTAB file for each study in the Metabolomics Workbench (https://www.metabolomicsworkbench.org/) 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. 

 

Files

metabolomicsworkbench_cpds_V1.csv

Files (89.6 MB)

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md5:dd0c93e4a09d188f04fe5435d9a3f564
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md5:3b6c7411121777cdde6aa292ba6f3f47
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Additional details

Related works

Is derived from
Dataset: https://www.metabolomicsworkbench.org/ (URL)