Tools

Online Tools

Stand-alone Tools

  • LIPID MAPS Tools Package
    Command line Perl scripts to generate SD files containing structure and ontological data for various lipid categories. The current version supports structure generation for Fatty acyls (FA), Glycerolipids (GL), Glycerophospholipids (GP), Cardiolipins (CL), Sphingolipids (SP) and Sterols (ST). Please see our documentation for specific main and subclasses. FAStrGen.pl | GLStrGen.pl | GPStrGen.pl | CLStrGen.pl | SPStrGen.pl | STStrGen.pl

    References

    Sud M, Fahy E, Subramaniam S. Template-based combinatorial enumeration of virtual compound libraries for lipids. Journal of Cheminformatics 2012, 4:23. PMID:23006594 doi: [10.1186/1758-2946-4-23]

  • LIPID MAPS MS Prediction Tool
    A standalone Windows application for predicting possible molecular species for a given MS ion. This application enables a user to enter the m/z value of an unknown lipid ion and predict the most likely molecular species, based on internally generated lists of side-chains and headgroups typically found in mammalian versions of glycerolipids, glycerophospholipids (including cardiolipins) and sphingolipids. There are separate user intefaces for:glycerolipids, glycerophospholipids, cardiolipins, sphingolipids, fatty acids and cholesteryl esters. There is also a user interface to calculate the exact mass of glycerophospholipid and glycerolipid ions with defined side-chains and headgroups, along with a display of the isotopic distribution profile.
    • Download MS Prediction Tool (Lipid_MS_Predict.zip) View Changelog
    • Installation requirements: Windows 2000/XP/Vista containing the Microsoft .NET Framework (available free at http://www.microsoft.com/net/).
    • Viewing help files: In order to view the help files, you may need to unblock the Compiled HTML Help file, LIPID_HELP.chm. To enable viewing, move LIPID_HELP.chm to your desktop, right click, select properties, press the 'Unblock' button, then 'Apply'.
    • Uninstalling: Since no registry entry is created, the program will not be included in the Windows add/remove program list. Simply delete the 3 files found in Lipid_MS_Predict.zip to remove.
  • LIPID MAPS Ontology Tools Package
    Command line Perl script to generate ontology data using structure data in SD file(s). The LIPID MAPS ontology script uses Perl modules from MayaChemTools package, an external open source Perl package, to generate ontology data and requires its local installation.
logo LIPID MAPS is funded by a grant from the National Institute of General Medical Sciences of the National Institutes of Health.