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 ~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
(29.9 MB)
| Name | Size | |
|---|---|---|
|
metabolomicsworkbench_cpds_V1.csv
md5:3379cdb3426f0ef27d35232a9517db75 |
8.1 MB | Download |
|
workbench_curated_compound_list.csv
md5:e860e955b2aa0ac66e193e3b2edec4be |
21.7 MB | Download |
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| All versions | This version | |
|---|---|---|
| Views | 439 | 240 |
| Downloads | 322 | 159 |
| Data volume | 3.9 GB | 1.6 GB |
| Unique views | 381 | 219 |
| Unique downloads | 262 | 129 |
Indexed in
- Publication date:
- January 16, 2022
- DOI:
-
- Keyword(s):
- metabolomics
- Related identifiers:
- Derived from
- https://www.metabolomicsworkbench.org/ (Dataset)
- License (for files):
- Creative Commons Attribution 4.0 International