| Entry |
|
|---|
| Name |
Bisphenol A;
2,2-Bis(4-Hydroxyphenyl)propane
|
|---|
| Formula |
C15H16O2
|
|---|
| Exact mass |
228.115
|
|---|
| Mol weight |
228.2863
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map05207 | Chemical carcinogenesis - receptor activation |
|
|---|
| Network |
|
|---|
| Enzyme |
1.14.13.- 1.14.-.- 1.97.1.-
|
|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Plasticizers and plastics
Bisphenols
C13624 Bisphenol A
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 17
1 C8x C 25.2256 -16.6002
2 C8y C 25.2177 -18.0002
3 C8x C 26.4290 -18.7072
4 C8x C 27.6413 -18.0141
5 C8y C 27.6492 -16.6141
6 C8x C 26.4451 -15.9072
7 O1a O 24.0016 -18.6939
8 C1d C 28.8661 -15.9221
9 C8y C 30.0040 -16.6299
10 C1a C 27.6450 -15.2168
11 C1a C 30.0703 -15.2099
12 C8x C 30.0610 -18.0233
13 C8x C 31.2687 -18.7311
14 C8y C 32.4858 -18.0391
15 C8x C 32.4948 -16.6391
16 C8x C 31.2869 -15.9313
17 O1a O 33.6935 -18.7469
BOND 18
1 2 3 1
2 8 9 1
3 3 4 2
4 8 10 1
5 4 5 1
6 8 11 1
7 5 6 2
8 6 1 1
9 2 7 1
10 1 2 2
11 9 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 16 9 1
17 5 8 1
18 14 17 1
|
|---|
