<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata="http://data.bioontology.org/metadata/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_28817"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_18310"/> <skos:notation>CHEBI:28817</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> <metadata_def:mappingLoom>dodecane</metadata_def:mappingLoom> <rdfs:label>dodecane</rdfs:label> <metadata_def:prefLabel>dodecane</metadata_def:prefLabel> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <oboinowl_gen:hasExactSynonym>dodecane</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>Dodecane</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>DODECANE</oboinowl_gen:hasExactSynonym> <obo_purl:IAO_0000115>A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).</obo_purl:IAO_0000115> <oboinowl_gen:hasRelatedSynonym>Dodekan</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Dihexyl</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>n-Dodecane</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Bihexyl</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>CH3-[CH2]10-CH3</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasDbXref>CAS:112-40-3</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24493301</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>LIPID_MAPS_instance:LMFA11000004</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Beilstein:1697175</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0031444</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MetaCyc:CPD-9290</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Dodecane</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PDBeChem:D12</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>DrugBank:DB02771</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1697175</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KNApSAcK:C00001248</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Gmelin:201408</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C08374</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_76924"/> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_18310"/> <oboinowl_gen:hasAlternativeId>CHEBI:25464</oboinowl_gen:hasAlternativeId> <oboinowl_gen:hasAlternativeId>CHEBI:41713</oboinowl_gen:hasAlternativeId> <oboinowl_gen:hasAlternativeId>CHEBI:4675</oboinowl_gen:hasAlternativeId> <oboinowl_gen:id>CHEBI:28817</oboinowl_gen:id> <obo_purl:chebi/smiles>CCCCCCCCCCCC</obo_purl:chebi/smiles> <obo_purl:chebi/formula>C12H26</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>170.33484</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>SNRUBQQJIBEYMU-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>170.20345</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_131762"> <ns1:has_parent_hydride> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_28817"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> </ns1:has_parent_hydride> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_23870"> <ns0:is_substituent_group_from rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_25464"> <obo_purl:IAO_0100001 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_27836"> <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_28878"> <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_30805"> <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_41713"> <obo_purl:IAO_0100001 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_4675"> <obo_purl:IAO_0100001 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_4676"> <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_84249"> <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_84280"> <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata="http://data.bioontology.org/metadata/">
  <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_28817">
    <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_18310"/>
    <skos:notation>CHEBI:28817</skos:notation>
    <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
    <metadata_def:mappingLoom>dodecane</metadata_def:mappingLoom>
    <rdfs:label>dodecane</rdfs:label>
    <metadata_def:prefLabel>dodecane</metadata_def:prefLabel>
    <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <oboinowl_gen:hasExactSynonym>dodecane</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasExactSynonym>Dodecane</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasExactSynonym>DODECANE</oboinowl_gen:hasExactSynonym>
    <obo_purl:IAO_0000115>A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).</obo_purl:IAO_0000115>
    <oboinowl_gen:hasRelatedSynonym>Dodekan</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Dihexyl</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>n-Dodecane</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>Bihexyl</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>CH3-[CH2]10-CH3</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasDbXref>CAS:112-40-3</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>PMID:24493301</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>LIPID_MAPS_instance:LMFA11000004</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>Beilstein:1697175</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>HMDB:HMDB0031444</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>MetaCyc:CPD-9290</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>Wikipedia:Dodecane</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>PDBeChem:D12</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>DrugBank:DB02771</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>Reaxys:1697175</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>KNApSAcK:C00001248</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>Gmelin:201408</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>KEGG:C08374</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
    <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_76924"/>
    <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_18310"/>
    <oboinowl_gen:hasAlternativeId>CHEBI:25464</oboinowl_gen:hasAlternativeId>
    <oboinowl_gen:hasAlternativeId>CHEBI:41713</oboinowl_gen:hasAlternativeId>
    <oboinowl_gen:hasAlternativeId>CHEBI:4675</oboinowl_gen:hasAlternativeId>
    <oboinowl_gen:id>CHEBI:28817</oboinowl_gen:id>
    <obo_purl:chebi/smiles>CCCCCCCCCCCC</obo_purl:chebi/smiles>
    <obo_purl:chebi/formula>C12H26</obo_purl:chebi/formula>
    <obo_purl:chebi/charge>0</obo_purl:chebi/charge>
    <obo_purl:chebi/mass>170.33484</obo_purl:chebi/mass>
    <obo_purl:chebi/inchikey>SNRUBQQJIBEYMU-UHFFFAOYSA-N</obo_purl:chebi/inchikey>
    <obo_purl:chebi/monoisotopicmass>170.20345</obo_purl:chebi/monoisotopicmass>
    <obo_purl:chebi/inchi>InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3</obo_purl:chebi/inchi>
  </owl:Class>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_131762">
    <ns1:has_parent_hydride>
      <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_28817">
        <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
      </rdf:Description>
    </ns1:has_parent_hydride>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_23870">
    <ns0:is_substituent_group_from rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_25464">
    <obo_purl:IAO_0100001 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_27836">
    <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_28878">
    <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_30805">
    <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_41713">
    <obo_purl:IAO_0100001 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_4675">
    <obo_purl:IAO_0100001 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_4676">
    <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_84249">
    <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
  <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_84280">
    <ns1:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28817"/>
  </rdf:Description>
</rdf:RDF>