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CHEBI:33216 - bisphenol A

ChEBI IDCHEBI:33216
ChEBI Namebisphenol A
Stars
DefinitionA bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.
Secondary ChEBI IDsCHEBI:22900, CHEBI:31295, CHEBI:47094
Last Modified22 January 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H16O2
Net Charge0
Average Mass228.291
Monoisotopic Mass228.11503
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=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
InChIKeyIISBACLAFKSPIT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
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.
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
Applications:
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
bisphenol A (CHEBI:33216) has role endocrine disruptor (CHEBI:138015)
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 Relation(s)
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 A sulfate (CHEBI:167305) 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  Source
2, 2-Bis(4-hydroxyphenyl)propaneHMDB
2,2-Bis(4-Hydroxyphenyl)propaneKEGG COMPOUND
2,2-Bis(4'-hydroxyphenyl)propaneHMDB
2,2-Bis(p-hydroxyphenyl)propaneChemIDplus
2,2-Di(4-hydroxyphenyl)propaneChemIDplus
2,2-Di(4-phenylol)propaneChemIDplus
UniProt Name  Source
bisphenol AUniProt
Manual XrefsDatabases
2OHPDBeChem
Bisphenol_AWikipedia
c0764UM-BBD
C13624KEGG COMPOUND
DB06973DrugBank
HMDB0032133HMDB
LSM-37080LINCS
Registry NumbersSources
Reaxys:1107700Reaxys
CAS:80-05-7KEGG COMPOUND
CAS:80-05-7NIST Chemistry WebBook
CAS:80-05-7ChemIDplus
Citations