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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 19932
        role 19904
          chemical role 19529
            environmental contaminant 18891
              bisphenol A 17919
                3,3',5,5'-tetrabromobisphenol A 1809
                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 19932
        subatomic particle 19930
          composite particle 19930
            hadron 19930
              baryon 19930
                nucleon 19930
                  atomic nucleus 19930
                    atom 19930
                      main group element atom 19876
                        p-block element atom 19876
                          carbon group element atom 19816
                            carbon atom 19812
                              organic molecular entity 19812
                                organic molecule 19764
                                  organic cyclic compound 19553
                                    organic aromatic compound 19414
                                      phenols 18680
                                        bisphenol 18042
                                          bisphenol A 17919
                                            3,3',5,5'-tetrabromobisphenol A 1809
                                            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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