<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_4746"?>
<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#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_27325 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27325">
        <rdfs:label>xanthophyll</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_4746 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_4746">
        <rdfs:label>echinenone</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_27325"/>
        <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">550.41747</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">550.871</ns4:mass>
        <ns4:inchi_string>InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+</ns4:inchi_string>
        <oboInOwl:hasDbXref>pdb-ccd:ECH</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>QXNWZXMBUKUYMD-QQGJMDNJSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Echinenone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>myoxanthin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>beta,beta-caroten-4-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>patent:GB1549643</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:5473895</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:17765578</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C08592</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C40H54O</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>patent:US4100197</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>4-keto-beta-carotene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:11697247</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:2030114</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>cas:432-68-8</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:4746</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>aphanin</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>echinenone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>knapsack:C00000925</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23160982</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>4-oxo-beta-carotene</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A  carotenone that is β-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates.</ns3:IAO_0000115>
        <oboInOwl:hasExactSynonym>beta,beta-caroten-4-one</oboInOwl:hasExactSynonym>
        <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 -->



