<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_50694"?>
<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_24431 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24431">
        <rdfs:label>chemical entity</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_50694 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_50694">
        <rdfs:label>minocycline</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
        <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">457.1849</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">457.483</ns4:mass>
        <oboInOwl:hasDbXref>pubmed:28709717</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>chemspider:16735907</oboInOwl:hasDbXref>
        <ns4:smiles_string>[H][C@@]12Cc3c(N(C)C)ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2</ns4:smiles_string>
        <oboInOwl:hasDbXref>patent:WO2008104734</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>minomycin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:31733348</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:44053</oboInOwl:hasAlternativeId>
        <ns3:IAO_0000115>A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:31630007</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym>(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pdb-ccd:MIY</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:3077644</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>DYKFCLLONBREIL-KVUCHLLUSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>hmdb:HMDB0015152</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide</oboInOwl:hasRelatedSynonym>
        <ns4:generalized_empirical_formula>C23H27N3O7</ns4:generalized_empirical_formula>
        <oboInOwl:hasAlternativeId>CHEBI:6939</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>pubmed:33568043</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>minocycline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>minociclina</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:34232283</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D05045</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lipidmaps:LMPK07000002</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB01017</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00018686</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:US3226436</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:10118-90-8</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22330257</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>7-Dimethylamino-6-demethyl-6-deoxytetracycline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:31719236</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugcentral:1813</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1</ns4:inchi_string>
        <oboInOwl:id>CHEBI:50694</oboInOwl:id>
        <oboInOwl:hasExactSynonym>(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:34636517</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C07225</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>Minocycline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>minociclinum</oboInOwl:hasRelatedSynonym>
        <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 -->



