<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_27496"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi#3"
     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: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="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchikey"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


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

    


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

    


    <!-- http://purl.obolibrary.org/obo/RO_0000087 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/RO_0000087">
        <rdfs:label xml:lang="en">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_27496 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27496">
        <rdfs:label>simazine</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38168"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38170"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24527"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35703"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78298"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasDbXref>CAS:122-34-9</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:10895</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:19101008</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Wikipedia:Simazine</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PPDB:592</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Gesatop</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>Simazine</oboInOwl:hasExactSynonym>
        <ns5:smiles>CCNc1nc(Cl)nc(NCC)n1</ns5:smiles>
        <oboInOwl:hasAlternativeId>CHEBI:9146</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>2,4-bis(ethylamino)-6-chloro-s-triazine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>MetaCyc:CPD-9355</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2-chloro-4,6-bis(ethylamino)-s-triazine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>6-chloro-N,N&#39;-diethyl-1,3,5-triazine-2,4-diamine</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym>Princep</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:27496</oboInOwl:id>
        <oboInOwl:hasDbXref>UM-BBD_compID:c0254</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>LINCS:LSM-19997</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns5:inchi>InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)</ns5:inchi>
        <oboInOwl:hasDbXref>PMID:15149137</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:14640584</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine</oboInOwl:hasRelatedSynonym>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasDbXref>KEGG:C11172</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2,4-bis(ethylamino)-6-chloro-1,3,5-triazine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:12791541</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>6-chloro-N,N&#39;-diethyl-[1,3,5]triazin-2,4-diamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Simanex</oboInOwl:hasRelatedSynonym>
        <ns5:inchikey>ODCWYMIRDDJXKW-UHFFFAOYSA-N</ns5:inchikey>
        <ns5:formula>C7H12ClN5</ns5:formula>
        <oboInOwl:hasAlternativeId>CHEBI:26679</oboInOwl:hasAlternativeId>
        <ns4:IAO_0000115>A diamino-1,3,5-triazine that is N,N&#39;-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>Pesticides:simazine</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Beilstein:10895</oboInOwl:hasDbXref>
        <ns5:mass>201.65658</ns5:mass>
        <ns5:monoisotopicmass>201.07812</ns5:monoisotopicmass>
        <oboInOwl:hasRelatedSynonym>2-chloro-4,6-bis(ethylamino)-1,3,5-triazine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35703 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35703">
        <rdfs:label>xenobiotic</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_38168 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_38168">
        <rdfs:label>chloro-1,3,5-triazine</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_38170 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_38170">
        <rdfs:label>diamino-1,3,5-triazine</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_78298 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_78298">
        <rdfs:label>environmental contaminant</rdfs:label>
    </Class>
</rdf:RDF>



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



