<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_63928"?>
<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#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_63928 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_63928">
        <rdfs:label>menadione sodium sulfonate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://www.ebi.ac.uk/efo/EFO_0004415"/>
        <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">276.00684</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">276.245</ns4:mass>
        <oboInOwl:hasDbXref>KEGG DRUG:D08177</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:3922400</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>An organic sodium salt that is the monosodium salt of menadione sulfonate. A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted into active vitamin K&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;, menaquinone, after alkylation &lt;em&gt;in vivo&lt;/em&gt;.</ns3:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>1,2,3,4-Tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonic acid sodium salt</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-Methyl-1,4-naphthoquinone sodium bisulfite</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>KEGG COMPOUND:C18378</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24106670</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>bisulfite sodique de menadione</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>ppdb:1381</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>sodium 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym>2,3-Dihydro-2-methyl-1,4-naphthoquinone-2-sulfonate sodium</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>KEGG COMPOUND:130-37-0</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:63928</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>Menachinonum natrium bisulfurosum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>sodium 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Vitamin K3 sodium bisulfite</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O.[Na+]</ns4:smiles_string>
        <ns4:inchi_string>InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>menadione sodium bisulfite</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-Methyl-1,4-naphthoquinone sodium hydrogen sulfite</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>sodium dihydromenadione-2-sulfonate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Menadione sodium bisulfite anhydrous</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Menadione sodium hydrogen sulfite</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Reaxys:3922400</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C11H9O5S.Na</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>kegg.compound:C18378</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChemIDplus:130-37-0</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Menaphthone sodium bisulfite</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-Methylnaphthoquinone sodium hydrogen sulfite</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>menadioni natrii bisulfis</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>NCIt:C83928</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:130-37-0</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>bisulfito sodico de menadiona</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Natrium menadionsulfonicum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Menadioni natrii hydrogensulfis</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.drug:D08177</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28166217</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Sodium menadione bisulfite</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_key_string>XDPFHGWVCTXHDX-UHFFFAOYSA-M</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Menaphthone sodium bisulphite</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://www.ebi.ac.uk/efo/EFO_0004415 -->

    <Class rdf:about="http://www.ebi.ac.uk/efo/EFO_0004415">
        <rdfs:label>ionic salt</rdfs:label>
    </Class>
</rdf:RDF>



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



