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S73 | METXBIODB | Metabolite Reaction Database from BioTransformer - MaRDI portal

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S73 | METXBIODB | Metabolite Reaction Database from BioTransformer

From MaRDI portal
Dataset:6705704



DOI10.5281/zenodo.13235312Zenodo13235312MaRDI QIDQ6705704

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 6 August 2024

Copyright license: No records found.



Description

This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ This dataset is extracted from the database behind BioTransformer (http://biotransformer.ca/) by Yannick Djoumbou-Feunang, David S. Wishart and colleagues, for addition to the PubChem Transformations section. Change logs and version tracking at the ECI GitLab site. Please cite the BioTransformer article when using this set: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5 NOTE: This deposition is work in progress ... Change log: 13 Oct: added InChIKey file. 16 Oct: updated substances with missing CIDs and transformations. 5/11 many bug fixes finally committed, added DTXSIDs. 22/6/2023 adjusted one CID that changed upon PubChem standardization. 15 Nov 2023: fixed typo in reaction description. 26 Feb 2024: corrected name for CID 65564. 6 Aug 2024: fixed many triazine synonyms.






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