LIPID MAPS online tools for lipid research.
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TL;DR: A simple online interface has been developed to enable an end-user to rapidly generate a variety of lipid chemical structures, along with corresponding systematic names and ontological information, from mass spectrometry data.
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Abstract: The LIPID MAPS consortium has developed a number of online tools for performing tasks such as drawing lipid structures and predicting possible structures from mass spectrometry (MS) data. A simple online interface has been developed to enable an end-user to rapidly generate a variety of lipid chemical structures, along with corresponding systematic names and ontological information. The structure-drawing tools are available for six categories of lipids: (i) fatty acyls, (ii) glycerolipids, (iii) glycerophospholipids, (iv) cardiolipins, (v) sphingolipids and (vi) sterols. Within each category, the structure-drawing tools support the specification of various parameters such as chain lengths at a specific sn position, head groups, double bond positions and stereochemistry to generate a specific lipid structure. The structure-drawing tools have also been integrated with a second set of online tools which predict possible lipid structures from precursor-ion and product-ion MS experimental data. The MS prediction tools are available for three categories of lipids: (i) mono/di/triacylglycerols, (ii) glycerophospholipids and (iii) cardiolipins. The LIPID MAPS online tools are publicly available at www.lipidmaps.org/tools/.
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LMSD: LIPID MAPS structure database.
Manish Sud,Eoin Fahy,Dawn Cotter,Alex Brown,Edward A. Dennis,Christopher K. Glass,Alfred H. Merrill,Robert C. Murphy,Christian R. H. Raetz,David W. Russell,Shankar Subramaniam +10 more
TL;DR: The LIPID MAPS Structure Database (LMSD) is a relational database encompassing structures and annotations of biologically relevant lipids that provides the capability to perform a substructure search or exact match for the structure drawn by the user.
A comprehensive classification system for lipids
Eoin Fahy,Shankar Subramaniam,H. Alex Brown,Christopher K. Glass,Alfred H. Merrill,Robert C. Murphy,Christian R. H. Raetz,David W. Russell,Yousuke Seyama,Walter A. Shaw,Takao Shimizu,Friedrich Spener,Gerrit van Meer,Michael S. VanNieuwenhze,Stephen H. White,Joseph L. Witztum,Edward A. Dennis +16 more
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