LCSB Environmental Cheminformatics Group
Published August 23, 2019 | Version v1
Dataset Open

HMDB4.0 MetFrag Local CSV

Creators

  • 1. LCSB, Uni Luxembourg

Contributors

Related person:

  • 1. KU Denmark

Description

This is a local CSV file of HMDB4.0 (http://www.hmdb.ca/) for MetFrag (https://msbi.ipb-halle.de/MetFrag/).

Data was extracted from the XML, metals and entries with no monoisotopic mass were removed, one naming error for http://www.hmdb.ca/metabolites/HMDB0037436 was fixed and the XML fields adjusted to headers for MetFrag import.  

This file is for users wanting to integrate the latest HMDB into MetFrag CL workflows (offline), this file will be integrated into MetFrag online; please use the file in the dropdown menu rather than uploading this one.

The two versions are identical, the two names fit various formatting conventions used behind the scenes in MetFragWeb.

Files

HMDB4_23Aug19.csv

Files (168.7 MB)

Name Size Download all
md5:db787b9ef1639a814192a9cbec97eb0f
84.3 MB Preview Download
md5:db787b9ef1639a814192a9cbec97eb0f
84.3 MB Preview Download

Additional details

Related works

Is supplement to
http://www.hmdb.ca/ (URL)
https://msbi.ipb-halle.de/MetFrag/ (URL)
10.1093/nar/gkx1089 (DOI)