<?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:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_30363"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_18310"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_138675"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/FOODON_03412972"/> <rdfs:label>isobutane</rdfs:label> <rdfs:comment xml:lang="en">LanguaL term definition: Food additive; technological purpose(s): propellant.</rdfs:comment> <skos:notation>CHEBI:30363</skos:notation> <obo_purl:IAO_0000115>An alkane that is propane substituted by a methyl group at position 2.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>2-methylpropane</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>isobutane</oboinowl_gen:hasExactSynonym> <obo_purl:IAO_0000118 xml:lang="en">isobutane</obo_purl:IAO_0000118> <obo_purl:IAO_0000412 rdf:resource="http://purl.obolibrary.org/obo/chebi.owl"/> <obo_purl:IAO_0000412>http://langual.org</obo_purl:IAO_0000412> <oboinowl_gen:hasDbXref>Beilstein:1730720</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:75-28-5</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Codex::943b</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Europe::943b</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Gmelin:1301</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:D04623</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24179026</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24464945</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1730720</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Isobutane</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>http://www.langual.org/langual_thesaurus.asp?termid=B4399</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:30363</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>isobutane</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>(CH3)2CH-CH3</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>E943b</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>R-600a</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>isobutane</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30363"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78433"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78017"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C4H10</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>NNPPMTNAJDCUHE-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>58.12220</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>58.07825</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>CC(C)C</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_30355"> <ns1:is_substituent_group_from> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_30363"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30363"/> </rdf:Description> </ns1:is_substituent_group_from> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_30356"> <ns1:is_substituent_group_from rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30363"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_45895"> <ns0:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30363"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_46645"> <ns0:has_parent_hydride rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30363"/> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9001460"> <obo_purl:RO_0002309 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30363"/> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
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    <obo_purl:IAO_0000115>An alkane that is propane substituted by a methyl group at position 2.</obo_purl:IAO_0000115>
    <oboinowl_gen:hasExactSynonym>2-methylpropane</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasExactSynonym>isobutane</oboinowl_gen:hasExactSynonym>
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    <oboinowl_gen:hasDbXref>PMID:24464945</oboinowl_gen:hasDbXref>
    <oboinowl_gen:hasDbXref>Reaxys:1730720</oboinowl_gen:hasDbXref>
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    <oboinowl_gen:hasDbXref>http://www.langual.org/langual_thesaurus.asp?termid=B4399</oboinowl_gen:hasDbXref>
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    <oboinowl_gen:hasRelatedSynonym>(CH3)2CH-CH3</oboinowl_gen:hasRelatedSynonym>
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    <oboinowl_gen:hasRelatedSynonym>R-600a</oboinowl_gen:hasRelatedSynonym>
    <metadata_def:mappingLoom>isobutane</metadata_def:mappingLoom>
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    <obo_purl:chebi/inchikey>NNPPMTNAJDCUHE-UHFFFAOYSA-N</obo_purl:chebi/inchikey>
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    <obo_purl:chebi/smiles>CC(C)C</obo_purl:chebi/smiles>
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