Published July 6, 2022
| Version v4
Dataset
Open
Metabolomics WorkBench Compound Dictionary
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)