<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_4659"?>
<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_24431 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24431">
        <rdfs:label>chemical entity</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_4659 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_4659">
        <rdfs:label>disulfiram</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
        <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">296.05093</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">296.552</ns4:mass>
        <oboInOwl:hasRelatedSynonym>Antabuse</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>tetraethylthioperoxydicarbonic diamide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:25445071</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25565438</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0014960</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25495604</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1,1&#39;-dithiobis(N,N-diethylthioformamide)</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:26235918</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:34012274</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:26550292</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>tetraethylthiuram disulfide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:24496638</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:33731397</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:26239994</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16426571</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25557293</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19787200</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16880974</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:4659</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:25657800</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19782464</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:97-77-8</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C10H20N2S4</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-5467</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16661923</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:26033731</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:32971817</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:17079463</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25777347</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:34045896</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB00822</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:26314552</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16666414</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:26517513</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15709459</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasExactSynonym>1,1&#39;,1&#39;&#39;,1&#39;&#39;&#39;-[disulfanediylbis(carbonothioylnitrilo)]tetraethane</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>metacyc.compound:DISULFIRAM</oboInOwl:hasDbXref>
        <ns4:smiles_string>CCN(CC)C(=S)SSC(=S)N(CC)CC</ns4:smiles_string>
        <oboInOwl:hasDbXref>pubmed:25464072</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:8572926</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25476326</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>bis(diethylthiocarbamoyl) disulfide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:8442800</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:31151194</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>N,N,N&#39;,N&#39;-tetraethylthiuram disulfide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:26224731</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:14978246</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1,1&#39;,1&#39;&#39;,1&#39;&#39;&#39;-[disulfanediylbis(carbonothioylnitrilo)]tetraethane</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:15325261</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>tetraethylthiuram disulphide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Disulfiram</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Tetraethylthiuram disulfide</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_key_string>AUZONCFQVSMFAP-UHFFFAOYSA-N</ns4:inchi_key_string>
        <ns4:inchi_string>InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3</ns4:inchi_string>
        <oboInOwl:hasDbXref>pubmed:18579431</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:10841824</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugcentral:928</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C01692</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21471244</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:17579916</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D00131</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11005259</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19720750</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Disulfiram</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>An organic disulfide that results from the formal oxidative dimerisation of &lt;em&gt;N&lt;/em&gt;,&lt;em&gt;N&lt;/em&gt;-diethyldithiocarbamic acid.  A multi-enzyme inhibitor that is used in alcohol aversion therapy and also exhibits anticancer properties.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:11716515</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:32963852</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:1712560</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pesticides:disulfiram</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:17667894</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25133664</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 -->



