wd_chemicals_chemical_entities_smiles_isomeric_inchi

• License: https://creativecommons.org/publicdomain/zero/1.0/

rq turtle/ttl

• chemicals

Type of chemical entities with isomeric SMILES.

Use at

• https://query.wikidata.org/sparql

PREFIX wd: <http://www.wikidata.org/entity/>
PREFIX wdt: <http://www.wikidata.org/prop/direct/>
#title: Type of chemical entities with isomeric SMILES
SELECT * WHERE {
    ?structure wdt:P31 wd:Q113145171.
    ?structure wdt:P2017 ?smiles.
    ?structure wdt:P234 ?inchi.
}

graph TD
classDef projected fill:lightgreen;
classDef literal fill:orange;
classDef iri fill:yellow;
  v3("?inchi"):::projected 
  v2("?smiles"):::projected 
  v1("?structure"):::projected 
  c2(["wd:Q113145171"]):::iri 
  v1 --"wdt:P31"-->  c2
  v1 --"wdt:P2017"-->  v2
  v1 --"wdt:P234"-->  v3