| Entry |
|
|---|
| Name |
Benzo[a]pyrene;
Benzpyrene
|
|---|
| Formula |
C20H12
|
|---|
| Exact mass |
252.0939
|
|---|
| Mol weight |
252.31
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00624 | Polycyclic aromatic hydrocarbon degradation |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
| map01120 | Microbial metabolism in diverse environments |
| map05204 | Chemical carcinogenesis - DNA adducts |
| map05207 | Chemical carcinogenesis - receptor activation |
| map05208 | Chemical carcinogenesis - reactive oxygen species |
|
|---|
| Network |
nt06227 Nuclear receptor signaling (cancer) nt06250 DNA adduct formation (cancer) nt06251 CYP-mediated ROS formation (cancer) |
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C8y C 24.0100 -18.1300
2 C8y C 25.2000 -17.4300
3 C8y C 22.8200 -17.4300
4 C8y C 24.0100 -19.5300
5 C8y C 25.2000 -16.0300
6 C8y C 26.4600 -18.1300
7 C8y C 21.6300 -18.1300
8 C8x C 22.8200 -16.0300
9 C8x C 22.8200 -20.2300
10 C8x C 25.2000 -20.2300
11 C8x C 24.0100 -15.3300
12 C8x C 26.4600 -15.3300
13 C8x C 26.4600 -19.5300
14 C8x C 27.6500 -17.4300
15 C8y C 21.6300 -19.5300
16 C8x C 20.3700 -17.4300
17 C8x C 27.6500 -16.0300
18 C8x C 20.4400 -20.2300
19 C8x C 19.1800 -18.1300
20 C8x C 19.1800 -19.5300
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 2
12 6 13 2
13 6 14 1
14 7 15 1
15 7 16 1
16 12 17 1
17 15 18 1
18 16 19 2
19 18 20 2
20 8 11 2
21 9 15 2
22 10 13 1
23 14 17 2
24 19 20 1
|
|---|
