@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix ns0: <https://w3id.org/chemrof/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
obo_purl:CHEBI_68568
metadata_def:mappingLoom "oadipoylcarnitine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_68568 ;
metadata_def:prefLabel "O-adipoylcarnitine" ;
obo_purl:IAO_0000115 "An <em>O</em>-acylcarnitine compound having adipoyl as the acyl substituent." ;
oboinowl_gen:hasDbXref "pubmed:22770225", "pubmed:23315938", "reaxys:14657154" ;
oboinowl_gen:hasExactSynonym "3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate", "3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate" ;
oboinowl_gen:id "CHEBI:68568" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/3_STAR> ;
a owl:Class ;
rdfs:label "O-adipoylcarnitine" ;
rdfs:subClassOf obo_purl:CHEBI_24431 ;
skos:notation "CHEBI:68568" ;
ns0:charge 0 ;
ns0:generalized_empirical_formula "C13H23NO6" ;
ns0:inchi_key_string "BSVHAXJKBCWVDA-UHFFFAOYSA-N" ;
ns0:inchi_string "InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)" ;
ns0:mass 289.328 ;
ns0:monoisotopic_mass 289.15254 ;
ns0:smiles_string "C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCC(=O)O" .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix ns0: <https://w3id.org/chemrof/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
obo_purl:CHEBI_68568
metadata_def:mappingLoom "oadipoylcarnitine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_68568 ;
metadata_def:prefLabel "O-adipoylcarnitine" ;
obo_purl:IAO_0000115 "An <em>O</em>-acylcarnitine compound having adipoyl as the acyl substituent." ;
oboinowl_gen:hasDbXref "pubmed:22770225", "pubmed:23315938", "reaxys:14657154" ;
oboinowl_gen:hasExactSynonym "3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate", "3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate" ;
oboinowl_gen:id "CHEBI:68568" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/3_STAR> ;
a owl:Class ;
rdfs:label "O-adipoylcarnitine" ;
rdfs:subClassOf obo_purl:CHEBI_24431 ;
skos:notation "CHEBI:68568" ;
ns0:charge 0 ;
ns0:generalized_empirical_formula "C13H23NO6" ;
ns0:inchi_key_string "BSVHAXJKBCWVDA-UHFFFAOYSA-N" ;
ns0:inchi_string "InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)" ;
ns0:mass 289.328 ;
ns0:monoisotopic_mass 289.15254 ;
ns0:smiles_string "C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCC(=O)O" .