<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_6121"?>
<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_24431 -->

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


    <!-- http://purl.obolibrary.org/obo/CHEBI_6121 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_6121">
        <rdfs:label>ketamine</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">237.09204</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">237.73</ns4:mass>
        <oboInOwl:hasRelatedSynonym>dl-ketamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>ketamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>(+-)-ketamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C07525</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>ketamina</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>CNC1(c2ccccc2Cl)CCCCC1=O</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>2-(o-chlorophenyl)-2-(methylamino)-cyclohexanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>vsdb:2978</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D08098</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>DL-ketamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:100477-72-3</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:3783598</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:138833</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>ketaminum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-(methylamino)-2-(2-chlorophenyl)cyclohexanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>patent:US3254124</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0015352</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C13H16ClNO</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>drugbank:DB01221</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:6121</oboInOwl:id>
        <oboInOwl:hasDbXref>drugcentral:1523</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>KETAMINE</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>NMDA</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-(2-chlorophenyl)-2-(methylamino)cyclohexanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:6740-88-1</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>2-(2-chlorophenyl)-2-(methylamino)cyclohexanone</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>patent:BE634208</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>special K</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>wikipedia.en:Ketamine</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>YQEZLKZALYSWHR-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Ketamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>reaxys:2216965</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 -->



