<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_28834"?>
<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_28834 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_28834">
        <rdfs:label>deoxycholic acid</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_3098"/>
        <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">392.29266</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">392.58</ns4:mass>
        <ns4:inchi_string>InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1</ns4:inchi_string>
        <oboInOwl:hasAlternativeId>CHEBI:23616</oboInOwl:hasAlternativeId>
        <ns4:generalized_empirical_formula>C24H40O4</ns4:generalized_empirical_formula>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>3alpha,12alpha-Dihydroxy-5beta-cholanic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:42317</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>drugcentral:4988</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:83-44-3</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>desoxycholic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:28834</oboInOwl:id>
        <ns4:inchi_key_string>KXGVEGMKQFWNSR-LLQZFEROSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Deoxycholic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Desoxycholsaeure</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>gmelin:670078</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C04483</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A bile acid that is 5β-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-5529</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00030117</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>beilstein:3219882</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid</oboInOwl:hasExactSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:1687</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>lipidmaps:LMST04010040</oboInOwl:hasDbXref>
        <ns4:smiles_string>[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>7alpha-deoxycholic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>drugbank:DB03619</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pdb-ccd:DXC</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_3098 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_3098">
        <rdfs:label>bile acid</rdfs:label>
    </Class>
</rdf:RDF>



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



