@prefix ex: <https://sparql.uniprot.org/.well-known/sparql-examples/> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix schema: <https://schema.org/> .
@prefix sh: <http://www.w3.org/ns/shacl#> .
@prefix spex:<https://purl.expasy.org/sparql-examples/ontology#> .

ex:67_draft_human_metabolome a sh:SPARQLExecutable,
        sh:SPARQLSelectExecutable ;
    rdfs:comment "Generate a draft human metabolome"@en ;
    sh:prefixes _:sparql_examples_prefixes ;
    sh:select """PREFIX chebislash: <http://purl.obolibrary.org/obo/chebi/>
PREFIX rh: <http://rdf.rhea-db.org/>
PREFIX taxon: <http://purl.uniprot.org/taxonomy/>
PREFIX up: <http://purl.uniprot.org/core/>

SELECT
?uniprot ?mnemonic ?rhea ?chebi ?smiles ?inchiKey
WHERE
{
  ?uniprot up:annotation/up:catalyticActivity/up:catalyzedReaction ?rhea ;
        up:organism taxon:9606 ;
        up:mnemonic ?mnemonic .
  SERVICE <https://sparql.rhea-db.org/sparql> {
	?rhea rh:side/rh:contains/rh:compound ?compound .
    ?compound (rh:chebi|(rh:reactivePart/rh:chebi)|rh:underlyingChebi) ?chebi .
   }
   ?chebi chebislash:smiles ?smiles ;
          chebislash:inchikey ?inchiKey .
}""" ;
    schema:keywords "enzyme" , "small molecule" , "list" ;
    schema:target <https://sparql.uniprot.org/sparql/> ;
    spex:federatesWith <https://sparql.rhea-db.org/sparql> .

