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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
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      CHEBI ontology 20849
        role 20820
          chemical role 20397
            environmental contaminant 19655
              dibutyl phthalate 5286
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 20849
        subatomic particle 20847
          composite particle 20860
            hadron 20847
              baryon 20860
                nucleon 20847
                  atomic nucleus 20847
                    atom 20860
                      main group element atom 20781
                        p-block element atom 20768
                          carbon group element atom 20715
                            carbon atom 20710
                              organic molecular entity 20710
                                heteroorganic entity 20207
                                  organochalcogen compound 19905
                                    organooxygen compound 19807
                                      carbon oxoacid 19157
                                        carboxylic acid 19154
                                          monocarboxylic acid 18301
                                            fatty acid 17002
                                              fatty acid derivative 9224
                                                fatty alcohol 6478
                                                  primary fatty alcohol 6151
                                                    short-chain primary fatty alcohol 6143
                                                      butan-1-ol 6091
                                                        dibutyl phthalate 5286
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