minval (version 0.4)

toChEBI: Translates compounds names to ChEBI ids in a stoichiometric reaction

Description

This function translates compounds names to ChEBI ids or molecular formulas in a stoichiometric reaction

Usage

toChEBI(reaction, formula = FALSE)

Arguments

reaction

A stoichiometric reaction

formula

A logical value, if TRUE translates the compounds names to molecular formulas

Examples

## For a specific reaction
toChEBI("ADP[c_n] + Phosphoenolpyruvate[c_n] => ATP[c_n] + Pyruvate[c_n]")
# [1] "1 16761 + 1 18021 => 1 15422 + 1 15361"

toChEBI("ADP[c_n] + Phosphoenolpyruvate[c_n] => ATP[c_n] + Pyruvate[c_n]",formula = TRUE)
# [1] "1 C10H15N5O10P2 + 1 C3H4O6P => 1 C10H16N5O13P3 + 1 C3H3O3"