Lipids annotation

The Arabidopsis Lipid Annotation and structures of genes involved in acyl lipids.plantbiology. 

In LC-MS analysis, identification of lipids requires the use of accurate mass measurements for the determination of elemental composition, combined with MS" experiments to get information of the molecular fragments. In addition, in LC-MS, one metabolite may produce multiple peaks due to the presence of isotopes, adducts, and neutral loss fragments. Therefore, ion annotation is crucial in order to recognize a group of ions likely to originate from the same... 

The mentioned data management systems are only first steps toward comprehensive lipid databases and global lipid networks. An example for such a data bank is LIPIDMAPS (http //www.lipidmaps.org), which covers structures and annotations of biologically relevant lipids (43). The structures originate from the core laboratories of the LIPIDMAPS consortium and their partners. In this database, users can search the LIPID MAPS proteome database using either text-based or structure-based search options. In addition to LIPIDMAPS, other databases in Europe (http //www.lipidomics.net) and Japan (http //www.lipidbank.jp) have been initiated. 

The Lipid MAPS Structure Database (LMSD) is a relational database containing structures and annotations of biologically relevant lipids. As of the mid-2015, LMSD contains over 40,360 unique lipid structures and is the largest public database in the world specifically for lipids. The structures of lipids in the database are from the following sources [6] ... 

In addition to a classification-based retrieval of lipids, users can search LMSD using either text-based or structure-based search options. The text-based search implementation supports data retrieval by any combination of these data fields Lipid MAPS ID, systematic or common name, mass, formula, category, main class, and subclass data fields. The structure-based search, in conjunction with optional data fields, provides the capability to perform a substmcture search or exact match for the structure drawn by the user. Search results, in addition to structure and annotations, also include relevant links to external databases. 

Demonstrated the applications of the library for high-throughput lipid identification [7]. The group analyzed lipid extracts of the human plasma using a low-resolution mass spectrometer. Using LipidBlast, they structurally annotated a total of 264 lipids. The data set was cross-checked with manual peak annotations and data available from Lipid MAPS. Using accurate mass LC-MS/MS, they annotated a total of 523 lipid molecular species. A similar number of plasma lipids were obtained in comparison to those previously published [8, 9]. 

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