Dataset Open Access
Metabolomics WorkBench Compound Dictionary
Dinesh Kumar Barupal
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 and ~4200 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.
~77K chemical names still need to be curated and linked with appropriate chemical identifiers.
Files
(54.5 MB)
| Name | Size | |
|---|---|---|
|
metabolomicsworkbench_cpds_V1.csv
md5:686e58fd2414c1134365beb230c5ba9f |
9.9 MB | Download |
|
workbench_curated_compound_list.csv
md5:27b4107b6d538130adcaafcef31e3dd5 |
44.6 MB | Download |
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| All versions | This version | |
|---|---|---|
| Views | 446 | 1 |
| Downloads | 324 | 2 |
| Data volume | 3.9 GB | 54.5 MB |
| Unique views | 388 | 1 |
| Unique downloads | 263 | 1 |
Indexed in
- Publication date:
- December 22, 2022
- DOI:
-
- Keyword(s):
- metabolomics
- Related identifiers:
- Derived from
- https://www.metabolomicsworkbench.org/ (Dataset)
- License (for files):
- Creative Commons Attribution 4.0 International