| Entry |
|
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| Name |
Benzo[a]pyrene-7,8-dihydrodiol
|
|---|
| Formula |
C20H14O2
|
|---|
| Exact mass |
286.0994
|
|---|
| Mol weight |
286.324
|
|---|
| Structure |
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|---|
| Reaction |
|
|---|
| Pathway |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
| map05204 | Chemical carcinogenesis - DNA adducts |
| map05208 | Chemical carcinogenesis - reactive oxygen species |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 22
1 C8y C 25.8252 -19.9456
2 C8y C 27.0150 -19.2457
3 C8y C 24.6352 -19.2457
4 C8y C 25.8252 -21.3454
5 C8y C 27.0150 -17.8459
6 C8y C 28.2747 -19.9456
7 C8y C 23.4454 -19.9456
8 C8x C 24.6352 -17.8459
9 C8x C 24.6352 -22.0453
10 C8x C 27.0150 -22.0453
11 C8x C 25.8252 -17.1459
12 C8x C 28.2747 -17.1459
13 C8x C 28.2747 -21.3454
14 C8x C 29.4646 -19.2457
15 C8y C 23.4454 -21.3454
16 C2x C 22.1856 -19.2457
17 C8x C 29.4646 -17.8459
18 C1y C 22.2556 -22.0453
19 C2x C 20.9958 -19.9456
20 C1y C 20.9958 -21.3454
21 O1a O 19.7903 -22.0547
22 O1a O 22.2728 -23.4499
BOND 26
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 1
20 8 11 2
21 9 15 2
22 10 13 1
23 14 17 2
24 19 20 1
25 20 21 1
26 18 22 1
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