<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/MICRO?iri=http://purl.obolibrary.org/obo/CHEBI_5957"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     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:ns2="http://purl.obolibrary.org/obo/"
     xmlns:ns4="http://purl.obolibrary.org/obo/chebi/"
     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_0000412"/>
    <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://www.geneontology.org/formats/oboInOwl#id"/>
    <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
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35505 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35505">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">hydrate</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_5957 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_5957">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ipratropium bromide hydrate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35505"/>
        <oboInOwl:hasExactSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide--water (1/1)</oboInOwl:hasExactSynonym>
        <ns4:monoisotopicmass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">429.151</ns4:monoisotopicmass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">430.37642</ns4:mass>
        <ns4:formula rdf:datatype="http://www.w3.org/2001/XMLSchema#string">C20H30NO3.H2O.Br</ns4:formula>
        <ns4:formula rdf:datatype="http://www.w3.org/2001/XMLSchema#string">C20H32BrNO4</ns4:formula>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CAS:66985-17-9</oboInOwl:hasDbXref>
        <oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CHEBI:5957</oboInOwl:id>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">DrugBank:DB00332</oboInOwl:hasDbXref>
        <ns4:inchi rdf:datatype="http://www.w3.org/2001/XMLSchema#string">InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21+;;</ns4:inchi>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">KEGG:D02212</oboInOwl:hasDbXref>
        <ns4:inchikey rdf:datatype="http://www.w3.org/2001/XMLSchema#string">KEWHKYJURDBRMN-ZEODDXGYSA-M</ns4:inchikey>
        <ns2:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma.</ns2:IAO_0000115>
        <ns4:smiles rdf:datatype="http://www.w3.org/2001/XMLSchema#string">[Br-].[H]O[H].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C</ns4:smiles>
        <oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ipratropium bromide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ipratropium bromide hydrate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">ipratropium bromide monohydrate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR"/>
        <ns2:IAO_0000412 rdf:resource="http://purl.obolibrary.org/obo/chebi.owl"/>
    </Class>
</rdf:RDF>



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



