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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:bisphenol A
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Accession:CHEBI:33216 term browser browse the term
Definition:A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.
Synonyms:related_synonym: 2,2-Bis(4-Hydroxyphenyl)propane;   2,2-Bis(p-hydroxyphenyl)propane;   2,2-Di(4-hydroxyphenyl)propane;   2,2-Di(4-phenylol)propane;   4,4'-(1-Methylethane-1,1-diyl)diphenol;   4,4'-(1-Methylethylidene)bisphenol;   4,4'-(Propane-2,2-diyl)diphenol;   4,4'-Bisphenol A;   4,4'-Isopropylidenediphenol;   BPA;   Dianin's compound;   Formula=C15H16O2;   InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3;   InChIKey=IISBACLAFKSPIT-UHFFFAOYSA-N;   SMILES=CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
 alt_id: CHEBI:22900;   CHEBI:31295;   CHEBI:47094
 xref: CAS:80-05-7;   DrugBank:DB06973;   HMDB:HMDB0032133;   KEGG:C13624;   LINCS:LSM-37080
 xref_mesh: MESH:C006780
 xref: PDBeChem:2OH;   PMID:10593191;   PMID:11361040;   PMID:12860292;   PMID:15936980;   PMID:16904728;   PMID:24471646;   PMID:25042713;   PMID:25148994;   PMID:25524584;   PMID:25569640;   PMID:25637671;   PMID:25663485;   Reaxys:1107700;   UM-BBD_compID:c0764;   Wikipedia:Bisphenol_A



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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 20057
        role 20023
          chemical role 19565
            environmental contaminant 18868
              bisphenol A 17766
                3,3',5,5'-tetrabromobisphenol A 1791
                4-[2-(4-methoxyphenyl)propan-2-yl]phenol 0
                5-hydroxybisphenol A 0
                bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether 0
                bisphenol A dimethacrylate 6
                bisphenol A sulfate 0
                bisphenol AF 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 20057
        subatomic particle 20056
          composite particle 20068
            hadron 20056
              baryon 20056
                nucleon 20056
                  atomic nucleus 20056
                    atom 20056
                      main group element atom 19971
                        p-block element atom 19971
                          carbon group element atom 19889
                            carbon atom 19894
                              organic molecular entity 19882
                                organic molecule 19830
                                  organic cyclic compound 19603
                                    organic aromatic compound 19444
                                      phenols 18667
                                        bisphenol 17913
                                          bisphenol A 17766
                                            3,3',5,5'-tetrabromobisphenol A 1791
                                            4-[2-(4-methoxyphenyl)propan-2-yl]phenol 0
                                            5-hydroxybisphenol A 0
                                            bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether 0
                                            bisphenol A dimethacrylate 6
                                            bisphenol A sulfate 0
                                            bisphenol AF 0
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