<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_50845"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="https://w3id.org/chemrof/"
     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:obo="http://purl.obolibrary.org/obo#"
     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="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
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


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

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo#has_role">
        <rdfs:label>has_role</rdfs:label>
    </ObjectProperty>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // 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_33281 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_33281">
        <rdfs:label>antimicrobial agent</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_36047 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_36047">
        <rdfs:label>antibacterial drug</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_50845 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_50845">
        <rdfs:label>doxycycline</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33281"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_36047"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns5:charge>
        <ns5:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">444.15327</ns5:monoisotopic_mass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">444.44</ns5:mass>
        <oboInOwl:hasDbXref>metacyc.compound:CPD-19256</oboInOwl:hasDbXref>
        <ns5:inchi_key_string>JBIWCJUYHHGXTC-AKNGSSGZSA-N</ns5:inchi_key_string>
        <oboInOwl:hasDbXref>pmc:PMC8464303</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>doxycycline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>chemspider:10469369</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:42135</oboInOwl:hasAlternativeId>
        <ns5:inchi_string>InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1</ns5:inchi_string>
        <oboInOwl:hasExactSynonym>(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>drugcentral:961</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Vibramycin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:4713</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>6alpha-deoxy-5-oxytetracycline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>patent:US3019260</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Doxycyclin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>reaxys:3041790</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19630297</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:34577552</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>NCIt:C457</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Supracyclin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>knapsack:C00017127</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0014399</oboInOwl:hasDbXref>
        <ns5:smiles_string>[H][C@@]12C(=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]3([H])[C@H]1O)C(=O)c1c(O)cccc1[C@@H]2C</ns5:smiles_string>
        <oboInOwl:hasDbXref>vsdb:1840</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Doxycycline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>doxycyclinum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:34128838</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:34551605</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:1650428</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>5-hydroxy-alpha-6-deoxytetracycline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pmc:PMC8466018</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16651635</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11891205</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pdb-ccd:DXT</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24134630</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>SNOMEDCT:372478003</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:50845</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>doxiciclina</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE</oboInOwl:hasRelatedSynonym>
        <ns5:generalized_empirical_formula>C22H24N2O8</ns5:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:23698443</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11850258</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D07876</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB00254</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:34355683</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>SNOMEDCT:10504007</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:34338231</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:US3200149</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lipidmaps:LMPK07000001</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Doxycycline</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym>Jenacyclin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>doxycycline (anhydrous)</oboInOwl:hasRelatedSynonym>
        <ns4:IAO_0000115>Tetracycline in which the 5β-hydrogen is replaced by a hydroxy group, while the 6α-hydroxy group is replaced by hydrogen. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:34318509</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C06973</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>MESH:D004318</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:34228348</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:564-25-0</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11477376</oboInOwl:hasDbXref>
        <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 -->



