<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_30313"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     xmlns:chebi2="http://purl.obolibrary.org/obo/chebi#3"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi#"
     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="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="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <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/inchikey"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


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

    


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

    


    <!-- http://purl.obolibrary.org/obo/RO_0000087 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/RO_0000087">
        <rdfs:label xml:lang="en">has role</rdfs:label>
    </ObjectProperty>
    


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

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#has_functional_parent"/>
    


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

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#is_conjugate_base_of"/>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_16494 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_16494">
        <rdfs:label>lipoic acid</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_25646 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_25646">
        <rdfs:label>octanoate</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_30313 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_30313">
        <rdfs:label>lipoate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_59848"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78675"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#has_functional_parent"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_25646"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_77746"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#is_conjugate_base_of"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_16494"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns5:inchi>InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1</ns5:inchi>
        <oboInOwl:hasRelatedSynonym>liponate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>6-thioctate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:25056</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>5-(dithiolan-3-yl)valerate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:14519</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>1,2-dithiolane-3-valerate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>6-thiotate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>1,2-dithiolane-3-pentanoate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>5-(1,2-dithiolan-3-yl)pentanoate</oboInOwl:hasRelatedSynonym>
        <ns5:monoisotopicmass>205.03625</ns5:monoisotopicmass>
        <oboInOwl:hasDbXref>Gmelin:2110645</oboInOwl:hasDbXref>
        <ns5:formula>C8H13O2S2</ns5:formula>
        <oboInOwl:hasRelatedSynonym>5-[3-(1,2-dithiolanyl)]pentanoate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Reaxys:4993294</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>5-[1,2]Dithiolan-3-yl-pentanoate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:30313</oboInOwl:id>
        <ns5:charge>-1</ns5:charge>
        <oboInOwl:hasRelatedSynonym>thioctate</oboInOwl:hasRelatedSynonym>
        <ns5:inchikey>AGBQKNBQESQNJD-UHFFFAOYSA-M</ns5:inchikey>
        <oboInOwl:hasRelatedSynonym>5-(1,2-dithiolan-3-yl)valerate</oboInOwl:hasRelatedSynonym>
        <ns5:smiles>[O-]C(=O)CCCCC1CCSS1</ns5:smiles>
        <ns4:IAO_0000115>A thia fatty acid anion that is the conjugate base of lipoic acid; major species at pH 7.3.</ns4:IAO_0000115>
        <ns5:mass>205.31962</ns5:mass>
        <oboInOwl:hasRelatedSynonym>6,8-thiotate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>6,8-thioctate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>5-(1,2-dithiolan-3-yl)pentanoate</oboInOwl:hasExactSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_59848 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_59848">
        <rdfs:label>thia fatty acid anion</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_77746 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_77746">
        <rdfs:label>human metabolite</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_78675 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_78675">
        <rdfs:label>fundamental metabolite</rdfs:label>
    </Class>
</rdf:RDF>



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



