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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 26490
        role 26267
          chemical role 24354
            environmental contaminant 21000
              bisphenol A 18596
                3,3',5,5'-tetrabromobisphenol A 1858
                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 26490
        subatomic particle 26466
          composite particle 26466
            hadron 26411
              baryon 26411
                nucleon 26466
                  atomic nucleus 26411
                    atom 26466
                      main group element atom 26201
                        p-block element atom 26201
                          carbon group element atom 25593
                            carbon atom 25606
                              organic molecular entity 25606
                                organic molecule 25348
                                  organic cyclic compound 24401
                                    organic aromatic compound 23993
                                      phenols 21218
                                        bisphenol 18998
                                          bisphenol A 18596
                                            3,3',5,5'-tetrabromobisphenol A 1858
                                            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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