Skip to main content

Advertisement

Table 2 Representative examples of the commands for generating virtual compound libraries for different lipid categories

From: Template-based combinatorial enumeration of virtual compound libraries for lipids

Command Description
GLStrGen.pl “*(*:*/*:*/*:*)” Enumerate all possible glycerolipid structures
GLStrGen.pl “*(*:2/*:*/*:*)” Enumerate all possible glycerolipid structures containing 2 double bonds in sn1 chains
GLStrGen.pl “DG(*:2/*:1(9Z)/0:0)” Enumerate all possible diglycerols structures containing 2 double bonds in sn1 chains and a specific double bond in sn2 chain
GPStrGen.pl “*(*:*(*)/*:*(*))” Enumerate all possible glycerophospholipid structures
GPStrGen.pl “*(*- > 10 < 20:*/*+ > 16 < 24:*)” Enumerate all possible glycerophospholipid structures containing sn1 chains with odd chain length > 10 and < 20, and sn2 chains with even chain length > 16 and < 24
GPStrGen.pl “PC(18:1(11E)/*:*)” Enumerate all possible glycerophospholipid structures containing phosphocholine (PC) headgroup and a specific sn1 chain
CLStrGen.pl “*(1'-[*:*/*:*],3'-[*:*/*:*])” Enumerate all possible cardiolipin structures
CLStrGen.pl “*(1'-[18:2(9Z,12Z)/*:*],3'-[*:*/*:*])” Enumerate all possible cardiolipin structures containing a specific sn1 chain at 1' position
SPStrGen.pl “*(*:*/*:*)” Enumerate all possible sphingolipid structures
SPStrGen.pl “*(*:*/0:0)” Enumerate all possible sphingolipid structures without any N-acyl
SPStrGen.pl “*(*-:*/*:*)” Enumerate all possible sphingolipid structures containing odd long chain base lengths
SPStrGen.pl “*(*+ > 18:*/0:0)” Enumerate all possible sphingolipid structures containing long chain bases with even chain length > 18 and no N-acyl chain
  1. Additional file 1: Tables S5 to S8 show a comprehensive list of examples for generating virtual libraries for different lipid categories.