<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_28940"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi/3"
     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://purl.obolibrary.org/obo/chebi/3_STAR"/>
    <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_28940 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_28940">
        <rdfs:label>calciol</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73558"/>
        <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">384.33922</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">384.648</ns4:mass>
        <oboInOwl:hasAlternativeId>CHEBI:10008</oboInOwl:hasAlternativeId>
        <ns4:smiles_string>[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC/C2=CC=C1C[C@@H](O)CCC1=C</ns4:smiles_string>
        <oboInOwl:hasDbXref>pubmed:16886665</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:12174089</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_key_string>QYSXJUFSXHHAJI-YRZJJWOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Cholecalciferol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>activated 7-dehydrocholesterol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>reaxys:2339331</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:46283</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>drugcentral:2840</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>calciol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>lipidmaps:LMST03020001</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24304198</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lipidmaps:LMST03020000</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C27H44O</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:184223</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D00188</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Cholecalciferol</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>gmelin:1267613</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:23170</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>pdb-ccd:VD3</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:2838261</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15214747</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ppdb:160</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:9627702</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>CC</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Vitamin D3</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>pubmed:17156784</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Delta-D</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C05443</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11493580</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>vitamin D3</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>drugbank:DB00169</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:28940</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>hmdb:HMDB0000876</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:23964472</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:67-97-0</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:3494111</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:2997282</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19817701</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:10347174</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15876428</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>colecalciferol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>(+)-vitamin D3</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>oleovitamin D3</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A hydroxy seco-steroid that is (5&lt;i&gt;Z&lt;/i&gt;,7&lt;i&gt;E&lt;/i&gt;)-9,10-secocholesta-5,7,10(19)-triene in which the &lt;em&gt;pro&lt;/em&gt;-&lt;i&gt;S&lt;/i&gt; hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;), the active hormone.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:12955389</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:6265326</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_73558 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_73558">
        <rdfs:label>D3 vitamins</rdfs:label>
    </Class>
</rdf:RDF>



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



