S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
DOI10.5281/zenodo.13235312Zenodo13235312MaRDI QIDQ6705704FDOQ6705704
Dataset published at Zenodo repository.
David S. Wishart, Yannick Djoumbou-Feunang, Emma Schymanski, Jeff Zhang
Publication date: 6 August 2024
Copyright license: Creative Commons Attribution 4.0 International
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.
This page was built for dataset: S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
