| Entry |
|
|---|
| Name |
7,12-Dimethylbenz[a]anthracene;
DMBA
|
|---|
| Formula |
C20H16
|
|---|
| Exact mass |
256.1252
|
|---|
| Mol weight |
256.34
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
| map05204 | Chemical carcinogenesis - DNA adducts |
|
|---|
| Network |
nt06250 DNA adduct formation (cancer) |
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C8x C 18.6900 -19.0401
2 C8x C 18.6900 -20.4401
3 C8x C 19.9024 -21.1401
4 C8y C 21.1149 -20.4401
5 C8y C 21.1149 -19.0401
6 C8x C 19.9024 -18.3401
7 C8y C 22.3273 -21.1401
8 C8y C 23.5397 -20.4401
9 C8y C 23.5397 -19.0401
10 C8y C 22.3273 -18.3401
11 C8x C 24.7523 -21.1401
12 C8x C 25.9647 -20.4401
13 C8y C 25.9647 -19.0401
14 C8y C 24.7523 -18.3401
15 C8x C 27.1771 -18.3401
16 C8x C 27.1771 -16.9401
17 C8x C 25.9647 -16.2401
18 C8x C 24.7523 -16.9401
19 C1a C 22.3273 -16.9401
20 C1a C 22.3273 -22.5401
BOND 23
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 2
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 13 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 14 18 1
22 10 19 1
23 7 20 1
|
|---|
