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Published July 6, 2022 | Version v4
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 ~135,000 unique chemical names, ~9000 PubChem CIDs, ~6000 KEGG IDs, ~2100 CAS Numbers and ~2400 HMDB IDs that were submitted to the Metabolomics WorkBench repository. 

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 (35.4 MB)

Name Size Download all
md5:b8f0b60cf2dd3dbdd6696a24f89540d1
9.4 MB Preview Download
md5:b8a434004612f97d1eebc931b0ed8105
26.1 MB Preview Download

Additional details

Related works

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