Convert Metabolite Identifiers Using CTS FiehnLab

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