@prefix ex: <https://sparql.rhea-db.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#> .

ex:136_chebi_compounds_unique_to_one_reaction a sh:SPARQLExecutable,
        sh:SPARQLSelectExecutable ;
  rdfs:comment """Count all ChEBI compounds that occur as a participant in exactly one Rhea reaction quad - i.e. compounds specific to a single chemical transformation, as opposed to widely-reused ones like water or ATP. Counting is done over BidirectionalReactions reactions, one per quad, selected via rdfs:subClassOf rh:BidirectionalReaction, so the same quad's LR/RL/BI directional variants aren't counted as separate reactions."""@en ;
  sh:select """
PREFIX rh: <http://rdf.rhea-db.org/>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
SELECT
(COUNT(DISTINCT ?chebi) AS ?chebisInOnlyOneReaction)
WHERE {
{
SELECT
?chebi (COUNT(DISTINCT ?r) AS ?reactions)
WHERE {
  ?r rdfs:subClassOf rh:BidirectionalReaction ;
     rh:status rh:Approved ;
     rh:substratesOrProducts ?side .
  ?side rh:contains ?participant .
  ?participant rh:compound ?compound .
  ?compound (rh:chebi|(rh:reactivePart/rh:chebi)|rh:underlyingChebi) ?chebi .
}
GROUP BY ?chebi
HAVING (COUNT(DISTINCT ?r) = 1)
}}""";
  schema:keywords "ChEBI" , "Metabolite" ;
  schema:target <https://sparql.rhea-db.org/sparql> .