request_wikidata_metabolite: Retrieve Metabolite Information from Wikidata

In tidymass/massdatabase: Play with databases about mass spectrometry

Retrieve Metabolite Information from Wikidata

Description

This function queries Wikidata for detailed information about a given metabolite using its Wikidata ID.

Usage

request_wikidata_metabolite(metabolite_id = "Q18216")

Arguments

metabolite_id

A character string specifying the Wikidata ID of the metabolite (default: "Q18216").

Value

A list containing detailed metabolite information, including:

• metabolite_id - The Wikidata ID of the metabolite.

• metabolite_name - The name of the metabolite.

• metabolite_description - A brief description of the metabolite.

• aliases - Alternative names for the metabolite.

• wikipedia_url - The Wikipedia URL for the metabolite.

• chemical_formula - The chemical formula of the metabolite.

• smiles - The SMILES notation of the metabolite.

• inchi - The InChI representation of the metabolite.

• inchikey - The InChIKey of the metabolite.

• cas_id - The CAS Registry Number.

• pubchem_cid - The PubChem Compound ID.

• chebi_id - The ChEBI ID.

• chemspider_id - The ChemSpider ID.

• chembl_id - The ChEMBL ID.

• kegg_id - The KEGG Compound ID.

• hmdb_id - The Human Metabolome Database (HMDB) ID.

• lipidmaps_id - The LIPID MAPS ID.

• drugbank_id - The DrugBank ID.

• rxnorm_id - The RxNorm ID.

• ndf_rt_id - The NDF-RT ID.

• mesh_descriptor_id - The MeSH Descriptor ID.

• unii - The Unique Ingredient Identifier (UNII).

• guide_to_pharmacology_ligand_id - The Guide to Pharmacology Ligand ID.

• atc_code - The Anatomical Therapeutic Chemical (ATC) classification code.

• echa_substance_infocard_id - The ECHA Substance Infocard ID.

• chembl_id - The ChEMBL ID.

• freebase_id - The Freebase ID.

• reaxys - The Reaxys Registry Number.

• zvg_number - The ZVG number.

• probes_and_drugs_id - The Probes and Drugs ID.

• australian_register_of_therapeutic_goods_id - The Australian Register of Therapeutic Goods ID.

• other_identifiers - Various other database identifiers (e.g., SPLASH, DSSTox, PDB Ligand ID, etc.).

Examples

request_wikidata_metabolite("Q18216") # Fetches metabolite data for a given Wikidata ID.

tidymass/massdatabase documentation built on March 29, 2025, 10:51 p.m.