100_Get_the_number_of_ChEBI_participant_with_at_least_one_xref_to_CAS_number_as_provided_by_ChEBI

rq turtle/ttl

Get the number of ChEBI participant with at least one xref to CAS number as provided by ChEBI

Use at

• https://sparql.rhea-db.org/sparql

PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX allie: <http://allie.dbcls.jp/>
PREFIX GO: <http://purl.obolibrary.org/obo/GO_>
PREFIX rh:<http://rdf.rhea-db.org/>
PREFIX CHEBI:<http://purl.obolibrary.org/obo/CHEBI_>
PREFIX chebihash:<http://purl.obolibrary.org/obo/chebi#>
PREFIX oboInOwl:<http://www.geneontology.org/formats/oboInOwl#>

SELECT
  (count(distinct ?chebi) as ?chebiCount)
  (count(distinct ?dbXref) as ?xrefCount)
WHERE {
  ?reaction rdfs:subClassOf rh:Reaction .
  ?reaction rh:status rh:Approved .
  ?reaction rh:side ?reactionSide .
  ?reactionSide rh:contains ?participant .
  ?participant rh:compound ?compound .
  {
    ?compound rh:chebi ?chebi .
    ?chebi oboInOwl:hasDbXref ?dbXref .
    FILTER (regex(?dbXref,'^CAS:'))
  }
  UNION
  {
    ?compound rh:chebi ?chebi .
    ?chebi2 rdfs:subClassOf ?chebiRestriction .
    ?chebiRestriction a owl:Restriction .
    ?chebiRestriction owl:onProperty chebihash:has_major_microspecies_at_pH_7_3 .
    ?chebiRestriction owl:someValuesFrom ?chebi .
    ?chebi2 oboInOwl:hasDbXref ?dbXref .
    FILTER (regex(?dbXref,'^CAS:'))
  }
}

graph TD
classDef projected fill:lightgreen;
classDef literal fill:orange;
classDef iri fill:yellow;
  v6("?chebi"):::projected 
  v7("?chebi2")
  v9("?chebiCount")
  v8("?chebiRestriction")
  v4("?compound")
  v5("?dbXref"):::projected 
  v3("?participant")
  v1("?reaction")
  v2("?reactionSide")
  v10("?xrefCount")
  c4(["rh:Approved"]):::iri 
  c12(["owl:Restriction"]):::iri 
  c14(["chebihash:has_major_microspecies_at_pH_7_3"]):::iri 
  c2(["rh:Reaction"]):::iri 
  v1 --"rdfs:subClassOf"-->  c2
  v1 --"rh:status"-->  c4
  v1 --"rh:side"-->  v2
  v2 --"rh:contains"-->  v3
  v3 --"rh:compound"-->  v4
  subgraph union0[" Union "]
  subgraph union0l[" "]
    style union0l fill:#abf,stroke-dasharray: 3 3;
    f0[["regex(?dbXref,'^CAS:')"]]
    f0 --> v5
    v4 --"rh:chebi"-->  v6
    v7 --"rdfs:subClassOf"-->  v8
    v8 --"a"-->  c12
    v8 --"owl:onProperty"-->  c14
    v8 --"owl:someValuesFrom"-->  v6
    v7 --"oboInOwl:hasDbXref"-->  v5
  end
  subgraph union0r[" "]
    style union0r fill:#abf,stroke-dasharray: 3 3;
    f1[["regex(?dbXref,'^CAS:')"]]
    f1 --> v5
    v4 --"rh:chebi"-->  v6
    v6 --"oboInOwl:hasDbXref"-->  v5
  end
  union0r <== or ==> union0l
  end
  bind4[/"count(?chebi)"/]
  v6 --o bind4
  bind4 --as--o v9
  bind5[/"count(?dbXref)"/]
  v5 --o bind5
  bind5 --as--o v10