NORMAN Suspect List Exchange

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Published February 25, 2021 | Version NORMAN-SLE-S75.0.1.1
Dataset Open

S75 | CyanoMetDB | Comprehensive database of secondary metabolites from cyanobacteria

Contributors

  • 1. LCSB, Uni Luxembourg

Description

This is the collection associated with list S75 CyanoMetDB Comprehensive database of secondary metabolites from cyanobacteria on the NORMAN Suspect List Exchange.

https://www.norman-network.com/nds/SLE/

CyanoMetDB is a comprehensive database of secondary metabolites from cyanobacteria manually curated from primary references described in Jones et al (2021), DOI: 10.1016/j.watres.2021.117017 (preprint DOI: 10.1101/2020.04.16.038703)

Contents:

Original database: CyanoMetDB_WR_Feb2021.csv and CyanoMetDB_WR_Feb2021.xlsx
Reference information (only) expanding Ref entries in database: CyanoMetDB_References_v02_WR_Feb2021.csv and CyanoMetDB_References_v02_WR_Feb2021.xlsx
MetFrag local CSV file (original database abridged and reformatted for use in MetFrag): CyanoMetDB_MetFrag_Feb2021.csv
Additional files for matching InChIKeys (rapid suspect flagging):  CyanoMetDB_v02_InChIKeys.txt
DTXSIDs for CompTox LIST use only: CyanoMetDB_v02_DTXSIDs.txt

Changes in versions are documented in the changelog file: CyanoMetDB_WR_changelog.txt
NOTE: several "names" fields contain special characters, please use CSV name column entries with caution (refer to "*_CSV columns for plain text forms). Original entries with special characters are in the respective XLSX files.

Notes

Please cite both the original work (Jones et al, 2020, DOI: 10.1016/j.watres.2021.117017) and this Zenodo deposition (Jones et al, 2021, DOI: 10.5281/zenodo.4562688) when using CyanoMetDB Version 1!

Files

CyanoMetDB_MetFrag_Feb2021.csv

Files (8.1 MB)

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md5:c447eb74548fa5649233eae84f3623d0
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md5:c4b7e2ba29d8f3317bb247f3ec77cc70
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md5:486bcacb4a022fc178e974eeaec04d80
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md5:66ca1c34ab633ccbc7184a35475551bf
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md5:1fd1c05b09f6dab65c61c4725b45af7a
1.3 MB Download

Additional details

Related works

Is supplement to
Journal article: 10.1016/j.watres.2021.1170173 (DOI)
https://www.norman-network.com/nds/SLE/ (URL)

Funding

European Commission
NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap 722493