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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:dibutyl phthalate
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Accession:CHEBI:34687 term browser browse the term
Definition: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.
Synonyms:exact_synonym: dibutyl benzene-1,2-dicarboxylate
 related_synonym: 1,2-Benzenedicarboxylic acid dibutyl ester;   Benzene-o-dicarboxylic acid di-n-butyl ester;   Benzenedicarboxylic acid dibutyl ester;   Butyl phthalate;   DBP;   Di-n-butyl phthalate;   Dibutyl 1,2-benzenedicarboxylate;   Dibutyl-o-phthalate;   Formula=C16H22O4;   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;   InChIKey=DOIRQSBPFJWKBE-UHFFFAOYSA-N;   Phthalic acid di-n-butyl ester;   Phthalic acid dibutyl ester;   SMILES=CCCCOC(=O)c1ccccc1C(=O)OCCCC;   n-Butyl phthalate;   o-Benzenedicarboxylic acid dibutyl ester
 alt_id: CHEBI:535597
 xref: Beilstein:1914064;   CAS:84-74-2;   Drug_Central:4414;   Gmelin:262569;   HMDB:HMDB0033244;   KEGG:C14214
 xref_mesh: MESH:D003993
 xref: PMID:11133400;   PMID:16232742;   PMID:19840837;   PMID:24213843;   PMID:24468924;   PMID:24616073;   PMID:26730679;   PMID:27655612;   PMID:28102498;   PMID:28363850;   PMID:28486587;   PMID:28566680;   PMID:28580302;   PMID:28753974;   PMID:28822891;   PMID:28823096;   PPDB:2924;   Reaxys:1914064;   Wikipedia:Dibutyl_phthalate


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Term Annotations click to browse term
  CHEBI ontology 5081
    role 5046
      chemical role 835
        environmental contaminant 202
          dibutyl phthalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5081
    subatomic particle 5072
      composite particle 5072
        hadron 5072
          baryon 5072
            nucleon 5072
              atomic nucleus 5072
                atom 5072
                  main group element atom 5042
                    p-block element atom 5039
                      carbon group element atom 4957
                        carbon atom 4956
                          organic molecular entity 4956
                            heteroorganic entity 4796
                              organochalcogen compound 4758
                                organooxygen compound 4719
                                  carbon oxoacid 375
                                    carboxylic acid 370
                                      monocarboxylic acid 208
                                        fatty acid 131
                                          fatty acid derivative 92
                                            fatty alcohol 45
                                              primary fatty alcohol 40
                                                short-chain primary fatty alcohol 40
                                                  butan-1-ol 40
                                                    dibutyl phthalate 0
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