<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_40036"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="https://w3id.org/chemrof/"
     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:obo="http://purl.obolibrary.org/obo#"
     xmlns:ns4="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo#has_role -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo#has_role">
        <rdfs:label>has_role</rdfs:label>
    </ObjectProperty>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24527 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24527">
        <rdfs:label>herbicide</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24532 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24532">
        <rdfs:label>organic heterocyclic compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_40036 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_40036">
        <rdfs:label>amitrole</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24527"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns5:charge>
        <ns5:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">84.0436</ns5:monoisotopic_mass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">84.082</ns5:mass>
        <oboInOwl:hasDbXref>pubmed:17549540</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG COMPOUND:61-82-5</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:40036</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>2-Amino-1,3,4-triazole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>ppdb:31</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChemIDplus:61-82-5</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1H-1,2,4-triazol-3-amine</oboInOwl:hasRelatedSynonym>
        <ns4:IAO_0000115>A member of the class of triazoles that is 1&lt;em&gt;H&lt;/em&gt;-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>kegg.compound:C11261</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:17549540</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-amino-s-triazole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>gmelin:200706</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:40029</oboInOwl:hasAlternativeId>
        <oboInOwl:hasExactSynonym>1H-1,2,4-triazol-3-amine</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>Reaxys:107687</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Aminotriazole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>1H-1,2,4-triazol-3-ylamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>metacyc.compound:CPD0-1491</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-AT</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Amitrole</oboInOwl:hasRelatedSynonym>
        <ns5:generalized_empirical_formula>C2H4N4</ns5:generalized_empirical_formula>
        <oboInOwl:hasRelatedSynonym>3-amino-1H-1,2,4-triazole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>wikipedia.en:Amitrole</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pdb-ccd:3TR</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-aminotriazole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:61-82-5</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>NIST Chemistry WebBook:61-82-5</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>beilstein:107687</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns5:smiles_string>Nc1ncnn1</ns5:smiles_string>
        <ns5:inchi_key_string>KLSJWNVTNUYHDU-UHFFFAOYSA-N</ns5:inchi_key_string>
        <oboInOwl:hasDbXref>Beilstein:107687</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG COMPOUND:C11261</oboInOwl:hasDbXref>
        <ns5:inchi_string>InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)</ns5:inchi_string>
        <oboInOwl:hasDbXref>pubmed:7986209</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:1448</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>CiteXplore:7986209</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Gmelin:200706</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25820916</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11673067</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:107687</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pesticides:amitrole</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:AU2012202062</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:WO2007147209</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-4595</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:7546330</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-Amino-1,2,4-triazole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



