@prefix dcterms: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix np: <http://www.nanopub.org/nschema#> .
@prefix npx: <http://purl.org/nanopub/x/> .
@prefix nt: <https://w3id.org/np/o/ntemplate/> .
@prefix orcid: <https://orcid.org/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix pehterms: <https://w3id.org/peh/terms/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix schema: <http://schema.org/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix sub: <https://w3id.org/np/RAhSlIuuw5YqmMoyyvmy5GL3qIhs7sp14i6x2y3DCOhXM/> .
@prefix this: <https://w3id.org/np/RAhSlIuuw5YqmMoyyvmy5GL3qIhs7sp14i6x2y3DCOhXM> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

sub:Head {
  this: a np:Nanopublication;
    np:hasAssertion sub:assertion;
    np:hasProvenance sub:provenance;
    np:hasPublicationInfo sub:pubinfo .
}

sub:assertion {
  schema:alternateName rdfs:label "has alternative name" .
  
  schema:comment rdfs:label "has comment" .
  
  schema:identifier rdfs:label "identifier type" .
  
  rdf:type rdfs:label "is a" .
  
  rdfs:label rdfs:label "has the label" .
  
  rdfs:subClassOf rdfs:label "is a subclass of" .
  
  owl:Class rdfs:label "class" .
  
  skos:exactMatch rdfs:label "is exactly the same as (external identifier)" .
  
  sub:aliasname a nt:LiteralPlaceholder;
    rdfs:label "the alias (short name) used in the given context" .
  
  sub:aliastype a nt:LiteralPlaceholder;
    rdfs:label "the alias type, e.g. \"short_name\"" .
  
  sub:altname a nt:LiteralPlaceholder;
    rdfs:label "an alternative name" .
  
  sub:assertion a nt:AssertionTemplate;
    dcterms:description "<p>Such a nanopublication defines a <em>biochementity</em>: a chemical entity (compound, metabolite, isomer, group, …) as a subclass of BioChemEntity, with its names, external identifiers, inter-entity relations and context-specific aliases.</p>";
    rdfs:label "Defining a biochementity";
    nt:hasStatement sub:st0, sub:st1, sub:st2, sub:st3, sub:st4, sub:st5, sub:st6, sub:st7,
      sub:st8, sub:st9, sub:st9a, sub:st9b, sub:st9c, sub:st9d, sub:st9e;
    nt:hasTag "Terms" .
  
  sub:comment a nt:LongLiteralPlaceholder;
    rdfs:label "a comment" .
  
  sub:context a nt:GuidedChoicePlaceholder;
    rdfs:label "context: organization (ROR id)";
    nt:possibleValuesFromApi "https://api.ror.org/organizations?query=" .
  
  sub:contextalias a nt:LocalResource;
    rdfs:label "a context-specific alias" .
  
  sub:externalid a nt:ExternalUriPlaceholder;
    rdfs:label "external identifier (identifiers.org: InChIKey, CHEBI, CAS, PubChem, …)" .
  
  sub:grouplabel a nt:LiteralPlaceholder;
    rdfs:label "the group label" .
  
  sub:isomer a nt:GuidedChoicePlaceholder;
    rdfs:label "the biochementity this one is an isomer of";
    nt:possibleValuesFromApi "http://purl.org/nanopub/api/find_signed_things?type=https%3A%2F%2Fw3id.org%2Fpeh%2Fterms%2FBioChemEntity&searchterm=" .
  
  sub:metaboliteparent a nt:GuidedChoicePlaceholder;
    rdfs:label "the biochementity this one is a metabolite of";
    nt:possibleValuesFromApi "http://purl.org/nanopub/api/find_signed_things?type=https%3A%2F%2Fw3id.org%2Fpeh%2Fterms%2FBioChemEntity&searchterm=" .
  
  sub:name a nt:LiteralPlaceholder;
    rdfs:label "the name of the biochementity" .
  
  sub:parent a nt:GuidedChoicePlaceholder;
    rdfs:label "the parent class (BioChemEntity, or another biochementity)";
    nt:hasDefaultValue pehterms:BioChemEntity;
    nt:possibleValuesFromApi "http://purl.org/nanopub/api/find_signed_things?type=https%3A%2F%2Fw3id.org%2Fpeh%2Fterms%2FBioChemEntity&searchterm=" .
  
  sub:st0 a rdf:Statement;
    rdf:object owl:Class;
    rdf:predicate rdf:type;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st1 a rdf:Statement;
    rdf:object sub:name;
    rdf:predicate rdfs:label;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st2 a rdf:Statement;
    rdf:object sub:parent;
    rdf:predicate rdfs:subClassOf;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st3 a nt:OptionalStatement, nt:RepeatableStatement;
    rdf:object sub:altname;
    rdf:predicate schema:alternateName;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st4 a nt:OptionalStatement;
    rdf:object sub:comment;
    rdf:predicate schema:comment;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st5 a nt:OptionalStatement, nt:RepeatableStatement;
    rdf:object sub:externalid;
    rdf:predicate skos:exactMatch;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st6 a nt:OptionalStatement;
    rdf:object sub:grouplabel;
    rdf:predicate pehterms:hasGroupLabel;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st7 a nt:OptionalStatement, nt:RepeatableStatement;
    rdf:object sub:metaboliteparent;
    rdf:predicate pehterms:isMetaboliteOf;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st8 a nt:OptionalStatement, nt:RepeatableStatement;
    rdf:object sub:isomer;
    rdf:predicate pehterms:isIsomerOf;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st9 a nt:GroupedStatement, nt:OptionalStatement, nt:RepeatableStatement;
    nt:hasStatement sub:st9a, sub:st9b, sub:st9c, sub:st9d, sub:st9e .
  
  sub:st9a rdf:object sub:contextalias;
    rdf:predicate pehterms:hasContextAlias;
    rdf:subject <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> .
  
  sub:st9b rdf:object pehterms:ContextAlias;
    rdf:predicate rdf:type;
    rdf:subject sub:contextalias .
  
  sub:st9c rdf:object sub:aliasname;
    rdf:predicate schema:alternateName;
    rdf:subject sub:contextalias .
  
  sub:st9d rdf:object sub:aliastype;
    rdf:predicate schema:identifier;
    rdf:subject sub:contextalias .
  
  sub:st9e rdf:object sub:context;
    rdf:predicate pehterms:hasContext;
    rdf:subject sub:contextalias .
  
  <https://w3id.org/peh/biochementities/~~ARTIFACTCODE~~> a nt:IntroducedResource;
    rdfs:label "this biochementity" .
  
  pehterms:BioChemEntity rdfs:label "BioChemEntity (top class)" .
  
  pehterms:ContextAlias rdfs:label "context alias" .
  
  pehterms:hasContext rdfs:label "has context (organization)" .
  
  pehterms:hasContextAlias rdfs:label "has context alias" .
  
  pehterms:hasGroupLabel rdfs:label "has group label" .
  
  pehterms:isIsomerOf rdfs:label "is an isomer of" .
  
  pehterms:isMetaboliteOf rdfs:label "is a metabolite of" .
}

sub:provenance {
  sub:assertion prov:wasAttributedTo orcid:0000-0002-1267-0234 .
}

sub:pubinfo {
  orcid:0000-0002-1267-0234 foaf:name "Tobias Kuhn" .
  
  this: dcterms:creator orcid:0000-0002-1267-0234;
    dcterms:license <https://creativecommons.org/licenses/by/4.0/>;
    rdfs:label "Defining a biochementity";
    prov:generatedAtTime "2026-06-24T17:55:24.078015+02:00"^^xsd:dateTime;
    nt:wasCreatedFromTemplate <https://w3id.org/np/RAM3Mma65yu2b7JmKhw6GYcMVc2LWdgcqkZD3FGJbCIo4> .
  
  sub:sig npx:hasAlgorithm "RSA";
    npx:hasPublicKey "MIGfMA0GCSqGSIb3DQEBAQUAA4GNADCBiQKBgQCwUtewGCpT5vIfXYE1bmf/Uqu1ojqnWdYxv+ySO80ul8Gu7m8KoyPAwuvaPj0lvPtHrg000qMmkxzKhYknEjq8v7EerxZNYp5B3/3+5ZpuWOYAs78UnQVjbHSmDdmryr4D4VvvNIiUmd0yxci47dTFUj4DvfHnGd6hVe5+goqdcwIDAQAB";
    npx:hasSignature "h+7Do693AVT4hpoxCudUBUvAWdT9IvSWJkyYkJwi15ZSp6qU7wq3z1H4Wd9WnylkOT9IeBwwjYAaWZUCn9MEQ8r4dR2uXayNNJka4crQZ1ArPSbG6bxREL2KHlDZpXNmnTLXFymCJyYdHo4ZM+FcGrm0203ARp4bAdGdE/9zbFo=";
    npx:hasSignatureTarget this:;
    npx:signedBy orcid:0000-0002-1267-0234 .
}