LIPID MAPS® In-Silico Structure Database (LMISSD)

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The LIPID MAPS® In-Silico Structure Database (LMISSD) was developed as a relational database generated by computational expansion of headgroups and chains for a large number of commonly occurring lipid classes.

LMISSD has been designed from an analytical chemistry perspective and a hierarchy of sum composition, chain composition and exact structures may be browsed for the various lipid classes.

Represented categories are glycerolipids (MG, DG, TG, MGDG, DGDG, SQDG), glycerophospholipids (PC, PE, PS, PG, PI, PA, PGP, PIP(n), CL) and sphingolipids (Cer, SM, CerP, PE-Cer, PI-Cer, GlcCer, GalCer, LacCer).

There are also a number of computationally generated fatty acyls (prostanes, furans) and sphingolipids (glycosphingolipids) that have been imported from LMSD. LMISSD currently has over 1.1 million structures (~ 25,000 of which overlap with LMSD). All entries have a LIPID MAPS® ID, molfile, SMILES, InChIKey, exact mass, formula, systematic name and a set of abbreviations for sum composition, chain composition and exact structure.

Lipid Category Structures
Fatty acyls 1,795
Glycerolipids 787,670
Glycerophospholipids 304,139
Sphingolipids 38,886
TOTAL 1,132,490
Number of structures per lipid category

Overview of Interfaces

  • Browse LMISSD Classification Hierarchy — View lipids by category, or drill down to view lipids by main class and sub class and access lists of all lipids or chain composition structures for each sub class.
  • Search LMISSD by exact mass (GL,GP,SP) — Search for glycerolipids (GL), glycerophospholipids (GP), and sphingolipids (SP) based on exact mass and adduct.

References

Update of the LIPID MAPS® comprehensive classification system for lipids, Fahy E, Subramaniam S, Murphy R, Nishijima M, Raetz C, Shimizu T, Spener F, van Meer G, Wakelam M and Dennis E.A, (2009), J. Lipid Res. 50: S9-S14, PMID: 19098281.
A comprehensive classification system for lipids, Fahy E, Subramaniam S, Brown H, Glass C, Merrill JA, Murphy R, Raetz C, Russell D, Seyama Y, Shaw W, Shimizu T, Spener F, van Meer G, Vannieuwenhze M, White S, Witztum J and Dennis E.A, (2005), J. Lipid Res. 46: 839-861, PMID: 15722563.