Schema:Compound

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# baseURI: http://daap.eu/ontology/2015/compound
# imports: http://www.w3.org/ns/shacl

@prefix : <http://daap.eu/ontology/2015/compound#> .
@prefix daap: <http://daap.eu/wiki/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix sh: <http://www.w3.org/ns/shacl#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<http://daap.eu/ontology/2015/compound>
  rdf:type owl:Ontology ;
  rdf:type sh:Graph ;
  owl:versionInfo "Created with TopBraid Composer"^^xsd:string ;
  sh:shapesGraph <http://www.w3.org/ns/shacl> ;
.
:Alanine
  rdf:type :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  sh:abbreviationMetabolite "A"^^xsd:string ;
  sh:abbreviationMetabolite "Ala"^^xsd:string ;
  sh:casRegistryNumberMetabolite "302-72-7 (racemic)"^^xsd:string ;
  sh:casRegistryNumberMetabolite "338-69-2 (D-isomer)"^^xsd:string ;
  sh:casRegistryNumberMetabolite "56-41-7 (L-isomer)"^^xsd:string ;
  sh:chemicalFormula " C3H7NO2"^^xsd:string ;
  sh:commentary "Il faut rajouter l'url du wikipedia: https://en.wikipedia.org/wiki/Alanine"^^xsd:string ;
  sh:iupacMatabolite "3-aminopropanoic acid"^^xsd:string ;
  sh:keggMetabolite "http://www.kegg.jp/entry/C01401"^^xsd:string ;
  sh:molarMass "89.09 g·mol−1"^^xsd:string ;
  sh:name "Alanine"^^xsd:string ;
  sh:otherName "2-Aminopropanoic acid"^^xsd:string ;
  sh:plantcycMetabolite "http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=B-ALANINE"^^xsd:string ;
.
:Compound
  rdf:type sh:Shape ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:subClassOf owl:Thing ;
.
:Isotope
  rdf:type sh:Shape ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:subClassOf :Compound ;
.
:Metabolite
  rdf:type sh:Shape ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:subClassOf :Compound ;
  sh:property [] ;
.
:Metabolite_1
  rdf:type :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
.
:azote_15
  rdf:type :Isotope ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  sh:chemicalFormula "15N"^^xsd:string ;
  sh:commentary "https://fr.wikipedia.org/wiki/Azote_15"^^xsd:string ;
  sh:otherName "Azote 15"^^xsd:string ;
.
:carbone13
  rdf:type :Isotope ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  sh:chemicalFormula "13C"^^xsd:string ;
  sh:commentary "https://fr.wikipedia.org/wiki/Azote_13"^^xsd:string ;
  sh:otherName "Azote13"^^xsd:string ;
.
:deuterium
  rdf:type :Isotope ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  sh:chemicalFormula "2H"^^xsd:string ;
  sh:chemicalFormula "D"^^xsd:string ;
  sh:commentary "https://en.wikipedia.org/wiki/Deuterium"^^xsd:string ;
.
sh:abbreviationMetabolite
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
.
sh:casRegistryNumberMetabolite
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:range xsd:string ;
.
sh:chemicalFormula
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Isotope ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
.
sh:commentary
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
.
sh:iupacMatabolite
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:range xsd:string ;
.
sh:keggMetabolite
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:range xsd:string ;
.
sh:molarMass
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:range xsd:string ;
.
sh:name
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Isotope ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:range xsd:string ;
.
sh:otherName
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Isotope ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
  rdfs:range xsd:string ;
.
sh:plantcycMetabolite
  rdf:type owl:DatatypeProperty ;
  rdfs:domain :Metabolite ;
  rdfs:label "Platform Metabolism Metabolom"^^xsd:string ;
.