<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_53621"?>
<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:chebi2="http://purl.obolibrary.org/obo/chebi#3"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi#"
     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://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
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://www.w3.org/XML/1998/namespacestring -->

    <rdfs:Datatype rdf:about="http://www.w3.org/XML/1998/namespacestring"/>
    


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


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

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#has_functional_parent"/>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_33281 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_33281">
        <rdfs:label>antimicrobial agent</rdfs:label>
    </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_36683 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_36683">
        <rdfs:label rdf:datatype="http://www.w3.org/XML/1998/namespacestring">organochlorine compound</rdfs:label>
        <rdfs:label>organochlorine compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_48902 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_48902">
        <rdfs:label>1,2-thiazoles</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_53620 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_53620">
        <rdfs:label>methylisothiazolinone</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_53621 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_53621">
        <rdfs:label>chloromethylisothiazolinone</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_36683"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_48902"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#has_functional_parent"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_53620"/>
            </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>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33281"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasDbXref>Beilstein:1210149</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:23510348</oboInOwl:hasDbXref>
        <ns5:formula>C4H4ClNOS</ns5:formula>
        <oboInOwl:hasRelatedSynonym>methylchloroisothiazolinone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:23510349</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>5-chloro-2-methyl-2H-isothiazol-3-one</oboInOwl:hasRelatedSynonym>
        <ns5:monoisotopicmass>148.97021</ns5:monoisotopicmass>
        <oboInOwl:hasRelatedSynonym>5-Chloro-2-methyl-4-isothiazolin-3-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Reaxys:1210149</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:53621</oboInOwl:id>
        <ns4:IAO_0000115>A 1,2-thiazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom and a chlorine at C-5. It is a powerful biocide and preservative and is the major active ingredient in the commercial product Kathon(TM).</ns4:IAO_0000115>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasDbXref>PMID:20566902</oboInOwl:hasDbXref>
        <ns5:inchi>InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3</ns5:inchi>
        <oboInOwl:hasRelatedSynonym>CMIT</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:21616561</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Wikipedia:Methylchloroisothiazolinone</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>MCI</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:22994269</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns5:mass>149.59900</ns5:mass>
        <oboInOwl:hasDbXref>PMID:20492831</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:10416701</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>5-chloro-2-methyl-1,2-thiazol-3(2H)-one</oboInOwl:hasExactSynonym>
        <ns5:smiles>Cn1sc(Cl)cc1=O</ns5:smiles>
        <oboInOwl:hasDbXref>CAS:26172-55-4</oboInOwl:hasDbXref>
        <ns5:inchikey>DHNRXBZYEKSXIM-UHFFFAOYSA-N</ns5:inchikey>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </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 -->



