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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References
SMILES, a chemical language and information system. 1. introduction to methodology and encoding rules
TL;DR: This chapter discusses the construction of Benzenoid and Coronoid Hydrocarbons through the stages of enumeration, classification, and topological properties in a number of computers used for this purpose.
6.7K
Specification of Molecular Chirality
TL;DR: In this article, the topological analysis of chiral molecular models has been extended to deal with organic-chemical conformations, and, on the other hand, with inorganic-chemical configurations to ligancy six.
1.7K
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
TL;DR: A comprehensive classification of lipids with a common platform that is compatible with informatics requirements has been developed to deal with the massive amounts of data that will be generated by the lipid community.
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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
TL;DR: A structured vocabulary will facilitate the systematization of lipid biology and enable the cataloging of lipids and their properties in a way that is compatible with other macromolecular databases.
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