<?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:ns0="https://w3id.org/chemrof/" 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_73025">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
<rdfs:label>O-isovalerylcarnitine</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C12H23NO4</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>IGQBPDJNUXPEMT-UHFFFAOYSA-N</ns0:inchi_key_string>
<ns0:inchi_string>InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3</ns0:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">245.319</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">245.16271</ns0:monoisotopic_mass>
<ns0:smiles_string>CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C</ns0:smiles_string>
<skos:notation>CHEBI:73025</skos:notation>
<obo_purl:IAO_0000115>A C<small><sub>5</sub></small>-acylcarnitine having isovaleryl as the acyl substituent.</obo_purl:IAO_0000115>
<oboinowl_gen:hasExactSynonym>3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate</oboinowl_gen:hasExactSynonym>
<oboinowl_gen:hasDbXref>hmdb:HMDB0000688</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:16602101</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:23315938</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>reaxys:5814736</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
<oboinowl_gen:id>CHEBI:73025</oboinowl_gen:id>
<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<metadata_def:prefLabel>O-isovalerylcarnitine</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>3-methylbutyrylcarnitine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate</oboinowl_gen:hasRelatedSynonym>
<metadata_def:mappingLoom>oisovalerylcarnitine</metadata_def:mappingLoom>
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73025"/>
</owl:Class>
<rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_73025">
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73025"/>
</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:ns0="https://w3id.org/chemrof/" 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_73025">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
<rdfs:label>O-isovalerylcarnitine</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C12H23NO4</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>IGQBPDJNUXPEMT-UHFFFAOYSA-N</ns0:inchi_key_string>
<ns0:inchi_string>InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3</ns0:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">245.319</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">245.16271</ns0:monoisotopic_mass>
<ns0:smiles_string>CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C</ns0:smiles_string>
<skos:notation>CHEBI:73025</skos:notation>
<obo_purl:IAO_0000115>A C<small><sub>5</sub></small>-acylcarnitine having isovaleryl as the acyl substituent.</obo_purl:IAO_0000115>
<oboinowl_gen:hasExactSynonym>3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate</oboinowl_gen:hasExactSynonym>
<oboinowl_gen:hasDbXref>hmdb:HMDB0000688</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:16602101</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:23315938</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>reaxys:5814736</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
<oboinowl_gen:id>CHEBI:73025</oboinowl_gen:id>
<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<metadata_def:prefLabel>O-isovalerylcarnitine</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>3-methylbutyrylcarnitine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate</oboinowl_gen:hasRelatedSynonym>
<metadata_def:mappingLoom>oisovalerylcarnitine</metadata_def:mappingLoom>
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73025"/>
</owl:Class>
<rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_73025">
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73025"/>
</rdf:Description>
</rdf:RDF>