Published December 22, 2022
| Version v6
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 -
- ~148,403 unique chemical names
- ~12,000 PubChem CIDs
- ~13000 KEGG IDs
- ~5000 CAS Numbers
- ~4200 HMDB IDs
- - 121 unique species
- - 136 unique sample type
- ~77K chemical names still need to be curated and linked with appropriate chemical identifiers.
- - 6800 unique chemical names for human blood studies
- ~1400 unique chemical names reported for > 10 human blood studies
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
(66.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:686e58fd2414c1134365beb230c5ba9f
|
9.9 MB | Preview Download |
|
md5:360952ae094ec65cc911f5c0d1e5fd10
|
56.4 MB | Preview Download |
Additional details
Related works
- Is derived from
- Dataset: https://www.metabolomicsworkbench.org/ (URL)