<?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_70778"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_25384"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_47857"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35683"/> <rdfs:label>GW 7647</rdfs:label> <skos:notation>CHEBI:70778</skos:notation> <obo_purl:IAO_0000115>A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:265129-71-3</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C15622</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>LINCS:LSM-4172</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:14654352</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16839165</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:17434479</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21443859</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21742490</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22465071</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23008696</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:8955332</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:70778</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>GW 7647</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>2-({4-{2-{{(cyclohexylamino)carbonyl}(4-cyclohexylbutyl)amino}ethyl}phenyl}thio)-2-methylpropanoic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>GW-7647</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>GW7647</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-((4-(2-(1-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-(4-(2-(1-(4-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-(4-(2-(1-(cyclohexanebutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acid</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>gw7647</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_70778"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_70782"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C29H46N2O3S</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>PKNYXWMTHFMHKD-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>502.75200</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>502.32291</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9000397"> <obo_purl:RO_0002309> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_70778"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_70778"/> </rdf:Description> </obo_purl:RO_0002309> </rdf:Description> </rdf:RDF>