<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_5832"?>
<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_5832 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_5832">
        <rdfs:label>hypaphorine</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">246.13683</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">246.31</ns4:mass>
        <oboInOwl:hasDbXref>reaxys:3558356</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Glyyunnanenine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C09213</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>AOHCBEAZXHZMOR-ZDUSSCGKSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>pubmed:15032848</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:12710900</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18571406</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>N(alpha),N(alpha),N(alpha)-trimethyl-L-tryptophan</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:11089686</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:5348524</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>Hypaphorine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>L-tryptophan betaine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:10659705</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(+)-Hypaphorine</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>An amino acid betaine obtaine by exhaustive methylation of the α-amino group of &lt;small&gt;L&lt;/small&gt;-tryptophan with concomitant deprotonation of the carboxy group.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:11676477</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16547865</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>Lenticin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:5832</oboInOwl:id>
        <ns4:generalized_empirical_formula>C14H18N2O2</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:17370110</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>N,N,N-trimethyltryptophan betaine</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>C[N+](C)(C)[C@@H](Cc1cnc2ccccc12)C(=O)[O-]</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:12056802</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:9951730</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0061115</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Tryptophan betaine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>agr:IND20800355</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>L-Hypaphorine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:14504925</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00001740</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:487-58-1</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23855762</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18968328</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18404567</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:12236599</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 -->



