<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_27869"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     xmlns:chebi2="http://purl.obolibrary.org/obo/chebi#"
     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="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <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/inchikey"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/RO_0000087 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/RO_0000087">
        <rdfs:label xml:lang="en">has role</rdfs:label>
    </ObjectProperty>
    


    <!-- http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_16277 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_16277">
        <rdfs:label>haloacetic acid</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_22333 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_22333">
        <rdfs:label>alkylating agent</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_23123 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_23123">
        <rdfs:label>chloroacetate</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24527 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24527">
        <rdfs:label>herbicide</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_27869 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27869">
        <rdfs:label>chloroacetic acid</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_16277"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_36685"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_23123"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24527"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22333"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:inchikey>FOCAUTSVDIKZOP-UHFFFAOYSA-N</ns5:inchikey>
        <oboInOwl:hasDbXref>PDBeChem:R3W</oboInOwl:hasDbXref>
        <ns5:mass>94.49700</ns5:mass>
        <oboInOwl:id>CHEBI:27869</oboInOwl:id>
        <oboInOwl:hasDbXref>MetaCyc:CHLOROACETIC-ACID</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2-chloroacetic acid</oboInOwl:hasRelatedSynonym>
        <ns5:smiles>OC(=O)CCl</ns5:smiles>
        <oboInOwl:hasDbXref>PMID:25451595</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>CAA</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>monochloroacetic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-chloro-acetic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>KEGG:C06755</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:17490874</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:15033542</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Pesticides:monochloroacetic%20acid</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Acide monochloracetique</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>HMDB:HMDB0031331</oboInOwl:hasDbXref>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasAlternativeId>CHEBI:3622</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>alpha-chloro-acetic acid</oboInOwl:hasRelatedSynonym>
        <ns5:formula>C2H3ClO2</ns5:formula>
        <oboInOwl:hasDbXref>LIPID_MAPS_instance:LMFA01090068</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:23125</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>Acide chloracetique</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-chloro-ethanoic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Monochloressigsaeure</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:12359395</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:605438</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>chloracetic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:16647117</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Chloroethanoic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>Chloroacetic acid</oboInOwl:hasExactSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>KEGG:D07677</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:23103613</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.</ns4:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>Acide chloroacetique</oboInOwl:hasRelatedSynonym>
        <ns5:inchi>InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)</ns5:inchi>
        <oboInOwl:hasDbXref>CAS:79-11-8</oboInOwl:hasDbXref>
        <ns5:monoisotopicmass>93.98216</ns5:monoisotopicmass>
        <oboInOwl:hasExactSynonym>chloroacetic acid</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym>monochloroethanoic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_36685 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_36685">
        <rdfs:label>chlorocarboxylic acid</rdfs:label>
    </Class>
</rdf:RDF>



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



