<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_60056"?>
<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#"
     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://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>
    


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

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


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_27958 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27958">
        <rdfs:label>cocaine</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35274 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35274">
        <rdfs:label>ammonium ion derivative</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_37332 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_37332">
        <rdfs:label>tropane alkaloid</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_60056 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_60056">
        <rdfs:label>cocaine(1+)</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35274"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37332"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_77746"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_27958"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>Gmelin:341636</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane</oboInOwl:hasExactSynonym>
        <ns5:inchi>InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m0/s1</ns5:inchi>
        <ns5:monoisotopicmass>304.15433</ns5:monoisotopicmass>
        <ns5:inchikey>ZPUCINDJVBIVPJ-LJISPDSOSA-O</ns5:inchikey>
        <oboInOwl:hasDbXref>Gmelin:2542129</oboInOwl:hasDbXref>
        <ns5:formula>C17H22NO4</ns5:formula>
        <oboInOwl:hasRelatedSynonym>cocaine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>cocaine cation</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:60056</oboInOwl:id>
        <ns4:IAO_0000115>The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3.</ns4:IAO_0000115>
        <ns5:smiles>[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C</ns5:smiles>
        <ns5:charge>+1</ns5:charge>
        <ns5:mass>304.36090</ns5:mass>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_77746 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_77746">
        <rdfs:label>human metabolite</rdfs:label>
    </Class>
</rdf:RDF>



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



