Bisphenol A (BioCAD00000007516)
Metabolite Card
Formula: C15H16O2 (228.115)
SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonyms [en]
bisphenol A; 4,4'-Isopropylidenediphenol; 2,2-bis(4-hydroxyphenyl)propane; 4,4'-(propane-2,2-diyl)diphenol; BPA; Bis(4-hydroxyphenyl)dimethylmethane
Last reviewed on 2024-06-28.
Cite this Page
Bisphenol A. 数据之源,洞见之始. SMRUCC genomics institute, a synthetic life researcher from China.
https://biocad_registry.innovation.ac.cn/s/(-)-arctiin
(retrieved
2026-01-03) (CAD Registry RN: BioCAD00000007516). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
Bisphenol A, commonly abbreviated as BPA, is an organic compound with two phenol functional groups. It is a difunctional building block of several important plastics and plastic additives. With an annual production of 2–3 million metric tonnes, it is an important monomer in the production of polycarbonate. It is a potential food contaminant arising from its use in reusable polycarbonate food containers such as water carboys, baby bottles and kitchen utensils
DBLinks
- CAS Registry Number: 80-05-7
- PubChem CID: 6623
- ChEBI: 33216
- HMDB: HMDB0032133
- LipidMaps:
- KEGG: C13624
- BioCyc: CPD-18833
- NCBI MeSH: bisphenol A
- Wikipedia: Bisphenol_A
Other DBLinks
- CAS Registry Number: 102438-62-0
- CAS Registry Number: 1576-13-2
- CAS Registry Number: 25766-59-0
- CAS Registry Number: 27100-33-0
- CAS Registry Number: 71684-32-7
- CAS Registry Number: 80-05-7
- CAS Registry Number: 96152-48-6
- PubChem: 6623
- ChEBI: ChEBI:33216
- HMDB: HMDB0032133
- KEGG: C13624
- BioCyc: CPD-18833
- NCBI MeSH: bisphenol A
- Wikipedia: Bisphenol_A
- DrugBank: DB06973
- RefMet: RM0050341
- MoNA: EA016301
- MoNA: EA016303
- MoNA: EA016308
- MoNA: EA016309
- MoNA: EA016310
- MoNA: EA016312
- MoNA: EA016314
- MoNA: HMDB0032133_c_ms_101071
- MoNA: JP010801
- Metlin: METLIN_69602
- Coconut NaturalProduct: CNP0032949.0
- Coconut NaturalProduct: CNP0082073.0
- Coconut NaturalProduct: CNP0314755.0
Class / Ontology
- WishartLab ClassyFire: [Diphenylmethanes] Diphenylmethanes
- RefMet: [Bisphenols] Bisphenols
- ChEBI: [CHEBI:33216] bisphenol A
| ID | EC Number | Name |
|---|---|---|
| KEGG:R06879 | 1.97.1.- | C13623<=>C13624 + C13645 |
| KEGG:R06880 | 2 C13624<=>C13625 | |
| KEGG:R06881 | C13624<=>C13626 | |
| KEGG:R06883 | 1.14.-.- | C13624 + C00004 + C00080 + C00007<=>C13629 + C00003 + C00001 |
| KEGG:R06884 | 1.14.13.- | C13624 + C00004 + C00080 + C00007<=>C13631 + C00003 + C00001 |
| Rhea:RHEA:31568 | bisphenol A + NADH + O2 + H+ => 2,2-bis(4-hydroxyphenyl)-1-propanol + NAD+ + H2O | |
| Rhea:RHEA:31569 | 2,2-bis(4-hydroxyphenyl)-1-propanol + NAD+ + H2O => bisphenol A + NADH + O2 + H+ | |
| Rhea:RHEA:31570 | bisphenol A + NADH + O2 + H+ <=> 2,2-bis(4-hydroxyphenyl)-1-propanol + NAD+ + H2O | |
| Rhea:RHEA:66581 | bisphenol A + 3'-phosphoadenylyl sulfate => bisphenyl A sulfate + adenosine 3',5'-bisphosphate + H+ | |
| Rhea:RHEA:66582 | bisphenyl A sulfate + adenosine 3',5'-bisphosphate + H+ => bisphenol A + 3'-phosphoadenylyl sulfate | |
| Rhea:RHEA:66583 | bisphenol A + 3'-phosphoadenylyl sulfate <=> bisphenyl A sulfate + adenosine 3',5'-bisphosphate + H+ | |
| BioCyc:RXN-17421 | 1.14.13.- | CPD-18833 + OXYGEN-MOLECULE + NADPH + PROTON --> CPD-18836 + NADP + WATER |
Taxonomy Source
Pathway Synthetic
| pathway id | name |
|---|---|
| BioCyc:META_PWY-7757 | bisphenol A degradation |