calc_intact_acyl_formula: Calculation of acyl, alkyl or alkenyl formula (intact fatty...
In michaelwitting/lipidomicsUtils: Utility functions for lipidomics

Description Usage Arguments Author(s) See Also Examples

View source: R/Calc_acyl_mass.R

Calculation of acyl, alkyl or alkenyl formula (intact fatty acid or fatty alcohol)

This function calculates the formula of an acyl, alkyl or alkenyl given as shorthand notation, e.g. "18:1(9Z)" and calculates the formula of the respective intact fatty acid or alcohol. Supported modifications are currently hydroxy groups (OH), hydroperoxy groups (OOH), keto groups (O) and amino groups (NH2).

1	calc_intact_acyl_formula(x)

`x`	Shorthand notation of a acyl, alkyl, alkenyl (as string), e.g. "18:1(9Z)"

Michael Witting, michael.witting@helmholtz-muenchen.de

calc_intact_acyl_mass

calc_intact_acyl_mass

calc_residue_acyl_formula

1 2	library(lipidomicsUtils) calc_intact_acyl_formula("18:1(9Z)")

michaelwitting/lipidomicsUtils documentation built on Nov. 10, 2019, 1:17 a.m.

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