Dataset Open Access
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.
|All versions||This version|
|Data volume||3.9 GB||54.5 MB|