Dataset Open Access

S75 | CyanoMetDB | Comprehensive database of secondary metabolites from cyanobacteria

Jones, Martin R; Pinto, Ernani; Torres, Mariana A; Dörr, Fabiane; Mazur-Marzec, Hanna; Szubert, Karolina; Tartaglione, Luciana; Dell'Aversano, Carmela; Miles, Christopher O; Beach, Daniel G; McCarron, Pearse; Sivonen, Kaarina; Fewer, David P; Jokela, Jouni; Janssen, Elisabeth M-L

Other(s)
Schymanski, Emma

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.

Please cite the original work when using this dataset: Jones et al (2020). DOI: 10.1101/2020.04.16.038703
Files (8.1 MB)
Name Size
CyanoMetDB_MetFrag_Feb2021.csv
md5:c447eb74548fa5649233eae84f3623d0
1.8 MB Download
CyanoMetDB_References_v02_WR_Feb2021.csv
md5:c4b7e2ba29d8f3317bb247f3ec77cc70
753.5 kB Download
CyanoMetDB_References_v02_WR_Feb2021.xlsx
md5:b5a587206a8148ca46c849e646fa2e2c
326.4 kB Download
CyanoMetDB_v02_DTXSIDs.txt
md5:39d16fd38e47204ed3f9aad3db94470f
1.1 kB Download
CyanoMetDB_v02_InChIKeys.txt
md5:486bcacb4a022fc178e974eeaec04d80
60.7 kB Download
CyanoMetDB_WR_changelog.txt
md5:b568add3dc3721e4f887f75381cb73be
601 Bytes Download
CyanoMetDB_WR_Feb2021.csv
md5:66ca1c34ab633ccbc7184a35475551bf
3.9 MB Download
CyanoMetDB_WR_Feb2021.xlsx
md5:1fd1c05b09f6dab65c61c4725b45af7a
1.3 MB Download
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