7474507
doi
10.5281/zenodo.7474507
oai:zenodo.org:7474507
Metabolomics WorkBench Compound Dictionary
Dinesh Kumar Barupal
Icahn School of Medicine at Mount Sinai
url:https://www.metabolomicsworkbench.org/
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
metabolomics
<p>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. </p>
<p>workbench_curated_compound_list.csv contains some of the curated compound names. Basic curation has happened to connect metabolites names to PubChem identifiers.</p>
<p>~77K chemical names still need to be curated and linked with appropriate chemical identifiers. </p>
Zenodo
2022-12-22
info:eu-repo/semantics/other
5855079
1671762392.473297
9865046
md5:686e58fd2414c1134365beb230c5ba9f
https://zenodo.org/records/7474507/files/metabolomicsworkbench_cpds_V1.csv
44646526
md5:27b4107b6d538130adcaafcef31e3dd5
https://zenodo.org/records/7474507/files/workbench_curated_compound_list.csv
public
https://www.metabolomicsworkbench.org/
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url
10.5281/zenodo.5855079
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doi