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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)(c1ccc(O)cc1)c1ccc(O)cc1
 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: 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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      chemical role 19288
        environmental contaminant 18613
          bisphenol A 17315
            3,3',5,5'-tetrabromobisphenol A 922
            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 AF 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic aromatic compound 19154
                                  phenols 18145
                                    bisphenol 17440
                                      bisphenol A 17315
                                        3,3',5,5'-tetrabromobisphenol A 922
                                        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 AF 0
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