RbioRXN (version 1.5.1)

get.chebi.all: Download and parse current ChEBI

Description

Download all ChEBI in BioPAX level 2 (ftp://ftp.ebi.ac.uk/pub/databases/chebi/ontology/chebi.owl) and parse to generate data.frame() object

Usage

get.chebi.all()

Value

data.frame() object where data fields include

ChEBI

Unique ChEBI identifier

name

Chemical standard name

synonyms

If entity has multiple synonyms, they are separated by "///"

smiles

SMILES representation of chemical structure

inchi

InChI representation of chemical structure

kegg

Cross-link to KEGG COMPOUND database

parent

Parent compound if available

formula

Chemical formula

References

ChEBI web address: http://www.ebi.ac.uk/chebi/ \ BioPAX.org: http://www.biopax.org

Examples

# Not run: it will take several minutes (5-7 mins)

##  chebi = get.chebi.all()
##  head(chebi)