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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 22178
        role 22194
          chemical role 21407
            environmental contaminant 19990
              bisphenol A 18051
                3,3',5,5'-tetrabromobisphenol A 1821
                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 22178
        subatomic particle 22170
          composite particle 22170
            hadron 22201
              baryon 22170
                nucleon 22170
                  atomic nucleus 22170
                    atom 22170
                      main group element atom 22104
                        p-block element atom 22104
                          carbon group element atom 21904
                            carbon atom 21859
                              organic molecular entity 21830
                                organic molecule 21647
                                  organic cyclic compound 21252
                                    organic aromatic compound 20736
                                      phenols 19216
                                        bisphenol 18313
                                          bisphenol A 18051
                                            3,3',5,5'-tetrabromobisphenol A 1821
                                            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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