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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: 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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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 22289
        role 22274
          chemical role 21498
            environmental contaminant 20142
              dibutyl phthalate 5238
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22289
        subatomic particle 22284
          composite particle 22284
            hadron 22284
              baryon 22284
                nucleon 22284
                  atomic nucleus 22284
                    atom 22284
                      main group element atom 22164
                        p-block element atom 22164
                          carbon group element atom 21966
                            carbon atom 21906
                              organic molecular entity 21906
                                heteroorganic entity 21548
                                  organochalcogen compound 21035
                                    organooxygen compound 20883
                                      carbon oxoacid 19635
                                        carboxylic acid 19631
                                          monocarboxylic acid 18994
                                            fatty acid 17284
                                              fatty acid derivative 9131
                                                fatty alcohol 6308
                                                  primary fatty alcohol 5974
                                                    short-chain primary fatty alcohol 5965
                                                      butan-1-ol 5908
                                                        dibutyl phthalate 5238
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