January 16, 2022 Dataset Open Access

Dinesh Kumar Barupal

Dublin Core Export

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  <dc:creator>Dinesh Kumar Barupal</dc:creator>
  <dc:date>2022-01-16</dc:date>
  <dc:description>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. </dc:description>
  <dc:identifier>https://zenodo.org/record/5860638</dc:identifier>
  <dc:identifier>10.5281/zenodo.5860638</dc:identifier>
  <dc:identifier>oai:zenodo.org:5860638</dc:identifier>
  <dc:relation>url:https://www.metabolomicsworkbench.org/</dc:relation>
  <dc:relation>doi:10.5281/zenodo.5855079</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>metabolomics</dc:subject>
  <dc:title>Metabolomics WorkBench Compound Dictionary</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>