<?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:ns1="http://purl.obolibrary.org/obo#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_64210"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33575"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/> <rdfs:label>4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid</rdfs:label> <skos:notation>CHEBI:64210</skos:notation> <obo_purl:IAO_0000115>An amidobenzoic acid obtained by formal condensation of the carboxy group of (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid with the anilino group of 4-aminobenzoic acid. A selective RARalpha agonist.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:102121-60-8</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>ChEMBL:209312</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>ChemIDplus:102121-60-8</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>ChemIDplus:3565084</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:18271925</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:18416830</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:19700416</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:19790202</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:20147703</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:20453882</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:21150871</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:21310893</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:21715427</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:22258322</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CiteXplore:22353356</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C15619</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>LINCS:LSM-2132</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PDB:3KMR</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18271925</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18416830</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:19700416</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:19790202</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20147703</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20453882</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21150871</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21310893</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21715427</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22258322</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22353356</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:3565084</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MESH:C068073</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:64210</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <ns1:has_role rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35703"/> <metadata_def:prefLabel>4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>AM-580</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>AM580</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Am 580</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>CD 336</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>CD-336</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>45588tetramethyl5678tetrahydronaphthalen2ylcarbonylaminobenzoicacid</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_64210"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C22H25NO3</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>SZWKGOZKRMMLAJ-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>351.43880</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>351.18344</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_64210"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_64210"/> </rdf:Description> </rdf:RDF>