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
(35.2 MB)
| Name | Size | |
|---|---|---|
|
metabolomicsworkbench_cpds_V1.csv
md5:6af94bfd5af376dcf0815c4682c560e5 |
9.3 MB | Download |
|
workbench_curated_compound_list.csv
md5:16208926a99a5ae92cd80524cd5ba186 |
25.9 MB | Download |
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| All versions | This version | |
|---|---|---|
| Views | 446 | 7 |
| Downloads | 324 | 11 |
| Data volume | 3.9 GB | 201.8 MB |
| Unique views | 388 | 7 |
| Unique downloads | 263 | 10 |
Indexed in
- Publication date:
- May 7, 2022
- DOI:
-
- Keyword(s):
- metabolomics
- Related identifiers:
- Derived from
- https://www.metabolomicsworkbench.org/ (Dataset)
- License (for files):
- Creative Commons Attribution 4.0 International