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CHEBI:33216 - bisphenol A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bisphenol A
ChEBI ID CHEBI:33216
Definition A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:47094, CHEBI:22900, CHEBI:31295
Supplier Information
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Formula C15H16O2
Net Charge 0
Average Mass 228.28634
Monoisotopic Mass 228.115
InChI 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
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): xenoestrogen
A synthetic or semi-synthetic compound that has oestrogenic activity.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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ChEBI Ontology
Outgoing bisphenol A (CHEBI:33216) has role environmental contaminant (CHEBI:78298)
bisphenol A (CHEBI:33216) has role xenobiotic (CHEBI:35703)
bisphenol A (CHEBI:33216) has role xenoestrogen (CHEBI:76988)
bisphenol A (CHEBI:33216) is a bisphenol (CHEBI:22901)
Incoming 3,3',5,5'-tetrabromobisphenol A (CHEBI:33217) has functional parent bisphenol A (CHEBI:33216)
4-[2-(4-methoxyphenyl)propan-2-yl]phenol (CHEBI:131346) has functional parent bisphenol A (CHEBI:33216)
5-hydroxybisphenol A (CHEBI:31133) has functional parent bisphenol A (CHEBI:33216)
bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) has functional parent bisphenol A (CHEBI:33216)
bisphenol A dimethacrylate (CHEBI:34579) has functional parent bisphenol A (CHEBI:33216)
bisphenol AF (CHEBI:72754) has functional parent bisphenol A (CHEBI:33216)
IUPAC Name
4,4'-(propane-2,2-diyl)diphenol
Synonyms Sources
2,2-Bis(4-Hydroxyphenyl)propane KEGG COMPOUND
2,2-Bis(p-hydroxyphenyl)propane ChemIDplus
2,2-Di(4-hydroxyphenyl)propane ChemIDplus
2,2-Di(4-phenylol)propane ChemIDplus
4,4'-(1-Methylethylidene)bisphenol ChemIDplus
4,4'-Bisphenol A ChemIDplus
4,4'-Isopropylidenediphenol ChemIDplus
Bisphenol A KEGG COMPOUND
bisphenol A UniProt
bisphenol-A ChEBI
Database Links Databases
Bisphenol_A Wikipedia
c0764 UM-BBD
C13624 KEGG COMPOUND
DB06973 DrugBank
HMDB32133 HMDB
LSM-37080 LINCS
View more database links
Registry Numbers Types Sources
1107700 Reaxys Registry Number Reaxys
80-05-7 CAS Registry Number KEGG COMPOUND
80-05-7 CAS Registry Number NIST Chemistry WebBook
80-05-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10593191 PubMed citation Europe PMC
11361040 PubMed citation Europe PMC
16904728 PubMed citation Europe PMC
24471646 PubMed citation Europe PMC
25042713 PubMed citation Europe PMC
25148994 PubMed citation Europe PMC
25524584 PubMed citation Europe PMC
25569640 PubMed citation Europe PMC
25637671 PubMed citation Europe PMC
25663485 PubMed citation Europe PMC
Last Modified
28 July 2016
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag