<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_41500"?>
<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/"
     xmlns:efo="http://www.ebi.ac.uk/efo/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // 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_33575 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_33575">
        <rdfs:label>carboxylic acid</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_41500 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_41500">
        <rdfs:label>4-phenylbutyric acid</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33575"/>
        <rdfs:subClassOf rdf:resource="http://www.ebi.ac.uk/efo/EFO_0004416"/>
        <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">164.08373</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">164.204</ns4:mass>
        <oboInOwl:hasDbXref>CiteXplore:20399799</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19918981</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>MESH:C075773</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChemIDplus:1821-12-1</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:22359472</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>4-phenylbutanoic acid</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>CiteXplore:21894430</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pdb-ccd:CLT</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:19918981</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)</ns4:inchi_string>
        <oboInOwl:hasDbXref>pubmed:21726539</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>metacyc.compound:CPD-14367</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20399799</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21237159</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21887297</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:41500</oboInOwl:id>
        <oboInOwl:hasDbXref>drugcentral:24</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:22101259</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>omega-Phenylbutanoic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:22359472</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>gamma-Phenyl-n-butyric acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>NIST Chemistry WebBook:1821-12-1</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Benzenebutyric acid</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>O=C(O)CCCc1ccccc1</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>4-phenylbutanoic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:22101259</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:21237159</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:638180</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>gamma-phenylbutyric acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:64058</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>Reaxys:638180</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-5751</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChEMBL:497873</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:21726539</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21894430</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>NCIt:C63699</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>PBA</oboInOwl:hasRelatedSynonym>
        <ns4:generalized_empirical_formula>C10H12O2</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>hmdb:HMDB0000543</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:1821-12-1</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:inchi_key_string>OBKXEAXTFZPCHS-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>4-PHENYL-BUTANOIC ACID</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4.  It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the γ-globin gene and affects hPPARγ activation.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>CiteXplore:21887297</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>4-Phenyl-n-butyric acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>omega-phenylbutyric acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://www.ebi.ac.uk/efo/EFO_0004416 -->

    <Class rdf:about="http://www.ebi.ac.uk/efo/EFO_0004416">
        <rdfs:label>acid</rdfs:label>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



