<?xml version="1.0" encoding="UTF-8"?>
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<owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_70749">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_18059"/>
<rdfs:label>O-hexanoylcarnitine</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C13H25NO4</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>VVPRQWTYSNDTEA-UHFFFAOYSA-N</ns0:inchi_key_string>
<ns0:inchi_string>InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3</ns0:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">259.346</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">259.17836</ns0:monoisotopic_mass>
<ns0:smiles_string>CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C</ns0:smiles_string>
<skos:notation>CHEBI:70749</skos:notation>
<obo_purl:IAO_0000115>An <em>O</em>-acylcarnitine compound having hexanoyl as the acyl substituent.</obo_purl:IAO_0000115>
<oboinowl_gen:hasExactSynonym>3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate</oboinowl_gen:hasExactSynonym>
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<oboinowl_gen:hasDbXref>cas:6418-78-6</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>hmdb:HMDB0000705</oboinowl_gen:hasDbXref>
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<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<metadata_def:prefLabel>O-hexanoylcarnitine</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>3-(hexanoyloxy)-4-(trimethylammonio)butanoate</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate</oboinowl_gen:hasRelatedSynonym>
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<?xml version="1.0" encoding="UTF-8"?>
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<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C13H25NO4</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>VVPRQWTYSNDTEA-UHFFFAOYSA-N</ns0:inchi_key_string>
<ns0:inchi_string>InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3</ns0:inchi_string>
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<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">259.17836</ns0:monoisotopic_mass>
<ns0:smiles_string>CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C</ns0:smiles_string>
<skos:notation>CHEBI:70749</skos:notation>
<obo_purl:IAO_0000115>An <em>O</em>-acylcarnitine compound having hexanoyl as the acyl substituent.</obo_purl:IAO_0000115>
<oboinowl_gen:hasExactSynonym>3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate</oboinowl_gen:hasExactSynonym>
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<metadata_def:mappingLoom>ohexanoylcarnitine</metadata_def:mappingLoom>
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