| Entry |
|
|---|
| Name |
Benzo[a]pyrene;
Benzpyrene
|
|---|
| Formula |
C20H12
|
|---|
| Exact mass |
252.0939
|
|---|
| Mol weight |
252.3093
|
|---|
| Structure |
     |
|---|
| Comment |
carcinogenic
IARC Group 1
|
|---|
| Reaction |
|
|---|
| Pathway |
| Polycyclic aromatic hydrocarbon degradation | | Metabolism of xenobiotics by cytochrome P450 | | Microbial metabolism in diverse environments | | Chemical carcinogenesis |
|
|---|
| Enzyme |
|
|---|
| Brite |
Carcinogens [BR:br08008]
Group 1: Carcinogenic to humans
Compounds
C07535 Benzo[a]pyrene
 |
|---|
| Other DBs |
CAS: 50-32-8 PubChem: ChEBI: NIKKAJI: |
|---|
| 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
|
|---|
