S73 | METXBIODB | Metabolite Reaction Database from BioTransformer

<p>This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>This dataset is extracted from the database behind BioTransformer (<a href="http://biotransformer.ca/">http://biotransformer.ca/</a>) by Yannick Djoumbou-Feunang, David S. Wishart and colleagues, for addition to the PubChem Transformations section. Change logs and version tracking at the <a href="https://git-r3lab.uni.lu/eci/pubchem/-/tree/master/annotations/tps/MetXBioDB">ECI GitLab site</a>.</p> <p>Please cite the BioTransformer article when using this set: <a href="https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5">https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5</a></p> <p>NOTE: This deposition is work in progress ...</p> <p>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.</p>