<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CIDO?iri=http://purl.obolibrary.org/obo/CHEBI_131489"?>
<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#"
     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:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="http://purl.obolibrary.org/obo/">
    


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

    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000412"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <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/chebi#is_conjugate_acid_of -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of">
        <rdfs:label>is conjugate acid of</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_131489 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_131489">
        <rdfs:label>N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+)</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_25697"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35274"/>
        <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_47495"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:id>CHEBI:131489</oboInOwl:id>
        <ns5:monoisotopicmass>447.06051</ns5:monoisotopicmass>
        <ns3:IAO_0000115>An organic cation obtained by protonation of the isoquinoline and secondary amino functions of N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide.</ns3:IAO_0000115>
        <oboInOwl:hasExactSynonym>5-[(2-{[3-(4-bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium</oboInOwl:hasExactSynonym>
        <ns5:inchi>InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/p+2</ns5:inchi>
        <ns5:mass>448.380</ns5:mass>
        <ns5:charge>+2</ns5:charge>
        <ns5:smiles>[H]C(C[NH2+]CCNS(=O)(=O)C1=CC=CC2=C1C=C[NH+]=C2)=C([H])C1=CC=C(Br)C=C1</ns5:smiles>
        <ns5:inchikey>ZKZXNDJNWUTGDK-UHFFFAOYSA-P</ns5:inchikey>
        <ns5:formula>C20H22BrN3O2S</ns5:formula>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:inSubset rdf:resource="http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR"/>
        <ns3:IAO_0000412 rdf:resource="http://purl.obolibrary.org/obo/chebi.owl"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_25697 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_25697">
        <rdfs:label>organic cation</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_47495 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_47495">
        <rdfs:label>N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide</rdfs:label>
    </Class>
</rdf:RDF>



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



