Mapping between metabolite names and PubChem CIDs obtained from the recon3D metabolic model. Combined table version from the recon3D matlab object.

data(metabolite_to_pubchem)

Format

An object of class “data.frame” with 1131 rows (metabolites) and two variables:

name

Metabolite name synonym

pubchem

Pubchem CID

Source

https://www.vmh.life/#downloadview, downloaded on Feb 19th, 2018.

References

Brunk, E. et al. (2018) Nature Biotechnology. 36(3), 272--281.

Examples

metab_to_pub = metabolite_to_pubchem