Convert Metabolite Identifiers Using CTS FiehnLab — convert_metabolite_id

Converts metabolite IDs from one database to another using the CTS FiehnLab online service.

convert_metabolite_id_oliver(
  query = "C00001",
  from = "KEGG",
  to = "Chemical Name",
  top = 1
)

Arguments

query: Character. The metabolite ID to convert (e.g., "C00001").
from: Character. The source database (e.g., "KEGG", "InChIKey").
to: Character. The target database or chemical name format (e.g., "Chemical Name", "InChI").
top: Integer. The number of top matches to return.

Value

A data frame with the original query and converted metabolite ID(s).

Examples

# Convert KEGG ID to Chemical Name using FiehnLab CTS
convert_metabolite_id_oliver(
  query = "C00001",
  from = "KEGG",
  to = "Chemical Name"
)
#>     KEGG Chemical Name
#> 1 C00001       oxidane

# Convert InChIKey to PubChem CID
convert_metabolite_id_oliver(
  query = "BQJCRHHNABKAKU-KBQPJGBKSA-N",
  from = "InChIKey",
  to = "PubChem CID"
)
#>                      InChIKey PubChem CID
#> 1 BQJCRHHNABKAKU-KBQPJGBKSA-N     5288826