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Published May 7, 2022 | Version v3
Dataset Open

Metabolomics WorkBench Compound Dictionary

Creators

  • 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 (35.2 MB)

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md5:6af94bfd5af376dcf0815c4682c560e5
9.3 MB Preview Download
md5:16208926a99a5ae92cd80524cd5ba186
25.9 MB Preview Download

Additional details

Related works

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