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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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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 20089
        role 20042
          chemical role 19589
            environmental contaminant 18862
              dibutyl phthalate 4909
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 20089
        subatomic particle 20058
          composite particle 20058
            hadron 20088
              baryon 20088
                nucleon 20088
                  atomic nucleus 20088
                    atom 20058
                      main group element atom 19960
                        p-block element atom 19990
                          carbon group element atom 19916
                            carbon atom 19909
                              organic molecular entity 19909
                                organic group 18988
                                  organic divalent group 18950
                                    organodiyl group 18974
                                      carbonyl group 18903
                                        carbonyl compound 18925
                                          carboxylic acid 18597
                                            monocarboxylic acid 17843
                                              fatty acid 16480
                                                fatty acid derivative 8762
                                                  fatty alcohol 5997
                                                    primary fatty alcohol 5633
                                                      short-chain primary fatty alcohol 5621
                                                        butan-1-ol 5583
                                                          dibutyl phthalate 4909
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