<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_35687"?>
<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://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/chebi#has_parent_hydride -->

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


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35681 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35681">
        <rdfs:label>secondary alcohol</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35687 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35687">
        <rdfs:label>butan-2-ol</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35681"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#has_parent_hydride"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37808"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:formula>C4H10O</ns5:formula>
        <oboInOwl:hasRelatedSynonym>2-hydroxybutane</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>s-butyl alcohol</oboInOwl:hasRelatedSynonym>
        <ns5:monoisotopicmass>74.07316</ns5:monoisotopicmass>
        <oboInOwl:hasDbXref>CAS:78-92-2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Beilstein:773649</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:773649</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>sec-butyl alcohol</oboInOwl:hasRelatedSynonym>
        <ns5:mass>74.12160</ns5:mass>
        <ns4:IAO_0000115>A secondary alcohol that is butane substituted by a hydroxy group at position 2.</ns4:IAO_0000115>
        <oboInOwl:id>CHEBI:35687</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>butanol-2</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>butan-2-ol</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>HMDB:HMDB0011469</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1-methyl-1-propanol</oboInOwl:hasRelatedSynonym>
        <ns5:smiles>CCC(C)O</ns5:smiles>
        <oboInOwl:hasRelatedSynonym>methylethylcarbinol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>1-methylpropyl alcohol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>s-Butylalkohol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:18214490</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>DrugBank:DB02606</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:24078128</oboInOwl:hasDbXref>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasDbXref>MetaCyc:CPD-326</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>sec-butanol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Wikipedia:2-butanol</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2-butyl alcohol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>Gmelin:1686</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2-butanol</oboInOwl:hasRelatedSynonym>
        <ns5:inchi>InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3</ns5:inchi>
        <ns5:inchikey>BTANRVKWQNVYAZ-UHFFFAOYSA-N</ns5:inchikey>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_37808 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_37808">
        <rdfs:label>butane</rdfs:label>
    </Class>
</rdf:RDF>



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



