<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_28285"?>
<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:ns4="https://w3id.org/chemrof/"
     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="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


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

    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_25675 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_25675">
        <rdfs:label>oligomycin</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_28285 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_28285">
        <rdfs:label>oligomycin A</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_25675"/>
        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">790.52311</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">791.076</ns4:mass>
        <ns4:inchi_key_string>MNULEGDCPYONBU-AWJDAWNUSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>metacyc.compound:CPD-21956</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Oligomycin A</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:24084683</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-43347</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28420869</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:233519</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:5702132</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25849761</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:29650704</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22869738</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(1R,4E,5&#39;S,6S,6&#39;S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6&#39;-[(2R)-2-hydroxypropyl]-5&#39;,6,8,10,12,14,16,28,29-nonamethyl-3&#39;,4&#39;,5&#39;,6&#39;-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2&#39;-pyran]-3,9,13-trione</oboInOwl:hasExactSynonym>
        <oboInOwl:id>CHEBI:28285</oboInOwl:id>
        <oboInOwl:hasDbXref>cas:579-13-5</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>An oligomycin with formula C&lt;small&gt;&lt;sub&gt;45&lt;/sub&gt;&lt;/small&gt;H&lt;small&gt;&lt;sub&gt;74&lt;/sub&gt;&lt;/small&gt;0&lt;small&gt;&lt;sub&gt;11&lt;/sub&gt;&lt;/small&gt;. An inhibitor of mitochondrial F&lt;small&gt;&lt;sub&gt;1&lt;/sub&gt;&lt;/small&gt;F&lt;small&gt;&lt;sub&gt;O&lt;/sub&gt;&lt;/small&gt; ATP synthase that induces apoptosis in a variety of cell types and exhibits antifungal, antitumour, and nematicidal activities, but its clinical application has been limited by poor solubility in water and other biocompatible solvents.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>kegg.compound:C11311</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:25674</oboInOwl:hasAlternativeId>
        <ns4:smiles_string>CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@@H]2[C@H](C)[C@H](CC1)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@H]2C</ns4:smiles_string>
        <ns4:inchi_string>InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m0/s1</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>RP-32705</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-43230</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(1R,4E,5&#39;S,6S,6&#39;S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6&#39;-[(2R)-2-hydroxypropyl]-5&#39;,6,8,10,12,14,16,28,29-nonamethyl-3&#39;,4&#39;,5&#39;,6&#39;-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2&#39;-pyran]-3,9,13-trione</oboInOwl:hasRelatedSynonym>
        <ns4:generalized_empirical_formula>C45H74O11</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pdb-ccd:EFO</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-43272</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:7750</oboInOwl:hasAlternativeId>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
</rdf:RDF>



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



