<?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:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:ns0="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_34687"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_51307"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35484"/> <skos:notation>CHEBI:34687</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_34687"/> <metadata_def:mappingLoom>dibutylphthalate</metadata_def:mappingLoom> <metadata_def:prefLabel>dibutyl phthalate</metadata_def:prefLabel> <obo_purl:IAO_0000115>A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>dibutyl benzene-1,2-dicarboxylate</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>Dibutyl phthalate</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:hasDbXref>HMDB:HMDB0033244</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28102498</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Gmelin:262569</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28823096</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24468924</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Dibutyl_phthalate</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C14214</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:16232742</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28822891</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28566680</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:26730679</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Beilstein:1914064</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1914064</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24213843</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:19840837</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Drug_Central:4414</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28580302</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:84-74-2</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PPDB:2924</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:27655612</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:11133400</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28753974</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28363850</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28486587</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24616073</oboinowl_gen:hasDbXref> <rdfs:label>dibutyl phthalate</rdfs:label> <oboinowl_gen:id>CHEBI:34687</oboinowl_gen:id> <oboinowl_gen:hasRelatedSynonym>Di-n-butyl phthalate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Phthalic acid di-n-butyl ester</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Dibutyl o-phthalate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>1,2-Benzenedicarboxylic acid dibutyl ester</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Butyl phthalate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>n-Butyl phthalate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Benzene-o-dicarboxylic acid di-n-butyl ester</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Dibutyl-o-phthalate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Dibutyl 1,2-benzenedicarboxylate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>o-Benzenedicarboxylic acid dibutyl ester</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>DBP</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Benzenedicarboxylic acid dibutyl ester</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Phthalic acid dibutyl ester</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasAlternativeId>CHEBI:535597</oboinowl_gen:hasAlternativeId> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_67239"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_79056"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78298"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50905"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_25212"/> <ns0:has_functional_parent rdf:resource="http://purl.obolibrary.org/obo/CHEBI_28885"/> <obo_purl:chebi/smiles>CCCCOC(=O)c1ccccc1C(=O)OCCCC</obo_purl:chebi/smiles> <obo_purl:chebi/formula>C16H22O4</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>278.34350</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>DOIRQSBPFJWKBE-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>278.15181</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9000637"> <obo_purl:RO_0002309> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_34687"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_34687"/> </rdf:Description> </obo_purl:RO_0002309> </rdf:Description> </rdf:RDF>