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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 22276
        role 22261
          chemical role 21485
            environmental contaminant 20128
              bisphenol A 18080
                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 7
                bisphenol A sulfate 0
                bisphenol AF 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22276
        subatomic particle 22271
          composite particle 22271
            hadron 22271
              baryon 22271
                nucleon 22271
                  atomic nucleus 22271
                    atom 22271
                      main group element atom 22150
                        p-block element atom 22150
                          carbon group element atom 21953
                            carbon atom 21893
                              organic molecular entity 21893
                                organic molecule 21721
                                  organic cyclic compound 21335
                                    organic aromatic compound 20834
                                      phenols 19336
                                        bisphenol 18472
                                          bisphenol A 18080
                                            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 7
                                            bisphenol A sulfate 0
                                            bisphenol AF 0
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