annotate_lipids: Parse molecule names to extract lipid class and chain...

In ahmohamed/lipidr: Data Mining and Analysis of Lipidomics Datasets

Parse molecule names to extract lipid class and chain information.

Description

Parse lipid names to return a data.frame containing lipid class, total chain length and unsaturation. Lipids should follow the pattern 'class xx:x/yy:y', with class referring to the abbreviated lipid class, xx:x as the composition of the first chain and yy:y as the second chain. Alternatively, lipids can be supplied following the pattern 'class zz:z', where zz:z indicates the combined chain length and unsaturation information.

Usage

annotate_lipids(molecules, no_match = c("warn", "remove", "ignore"))

Arguments

molecules	A character vector containing lipid molecule names.
no_match	How to handle lipids that cannot be parsed? Default is to give warnings.

Value

A data.frame with lipid annotations as columns. Input lipid names are given in a column named "Molecule".

Examples

lipid_list <- c(
  "Lyso PE 18:1(d7)",
  "PE(32:0)",
  "Cer(d18:0/C22:0)",
  "TG(16:0/18:1/18:1)"
)
annotate_lipids(lipid_list)

ahmohamed/lipidr documentation built on July 7, 2023, 2:22 a.m.