<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_76004"?>
<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#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_18059 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_18059">
        <rdfs:label>lipid</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_76004 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_76004">
        <rdfs:label>dimethyl fumarate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_18059"/>
        <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">144.04226</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">144.126</ns4:mass>
        <ns4:generalized_empirical_formula>C6H8O4</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:24131282</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>trans-1,2-Ethylenedicarboxylic acid dimethyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>drugbank:DB08908</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugcentral:4757</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(E)-But-2-enedioic acid dimethyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>wikipedia.en:Dimethyl_fumarate</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1,2-bis(methoxycarbonyl)-trans-ethylene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>hmdb:HMDB0031257</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:624-49-7</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>An enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis.</ns3:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>dimethyl (2E)-but-2-enedioate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>patent:WO2011100589</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Tecfidera</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>patent:US2008089861</oboInOwl:hasDbXref>
        <ns4:smiles_string>COC(=O)/C=C/C(=O)OC</ns4:smiles_string>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:inchi_string>InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+</ns4:inchi_string>
        <oboInOwl:hasDbXref>reaxys:774590</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24061646</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>trans-Butenedioic acid dimethyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:23946617</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>LDCRTTXIJACKKU-ONEGZZNKSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Fumaric acid, dimethyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Dimethyl trans-ethylenedicarboxylate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:76004</oboInOwl:id>
        <oboInOwl:hasExactSynonym>dimethyl (2E)-but-2-enedioate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>kegg.drug:D03846</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 -->



