<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_27592"?>
<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#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_24532 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24532">
        <rdfs:label>organic heterocyclic compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_27592 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27592">
        <rdfs:label>ectoine</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33575"/>
        <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">142.07423</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">142.158</ns4:mass>
        <ns4:inchi_string>InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1</ns4:inchi_string>
        <oboInOwl:hasDbXref>kegg.compound:C06231</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:23898</oboInOwl:hasAlternativeId>
        <oboInOwl:hasAlternativeId>CHEBI:49406</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>cas:96702-03-3</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:7288977</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid</oboInOwl:hasExactSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:4756</oboInOwl:hasAlternativeId>
        <ns4:inchi_key_string>WQXNXVUDBPYKBA-YFKPBYRVSA-N</ns4:inchi_key_string>
        <ns4:generalized_empirical_formula>C6H10N2O2</ns4:generalized_empirical_formula>
        <oboInOwl:hasRelatedSynonym>L-Ectoine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Ectoine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>wikipedia.en:Ectoine</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pdb-ccd:4CS</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A carboxamidine heterocycle obtained by formal condensation of (2&lt;i&gt;S&lt;/i&gt;)-2,4-diaminobutanoic acid with acetic acid.</ns3:IAO_0000115>
        <ns4:smiles_string>CC1=N[C@H](C(=O)O)CCN1</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>L-ectoine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>metacyc.compound:ECTOINE</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:27592</oboInOwl:id>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_33575 -->

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



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



