| Entry |
|
|---|
| Name |
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol;
NNAL
|
|---|
| Formula |
C10H15N3O2
|
|---|
| Exact mass |
209.1164
|
|---|
| Mol weight |
209.245
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
| map05204 | Chemical carcinogenesis - DNA adducts |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 15
1 N5x N 18.0419 -19.7673
2 C8x C 18.0419 -21.1643
3 C8x C 19.2517 -21.8628
4 C8x C 20.4616 -21.1643
5 C8y C 20.4616 -19.7673
6 C8x C 19.2517 -19.0688
7 C1c C 21.6964 -19.0688
8 C1b C 22.9063 -19.7673
9 C1b C 24.1161 -19.0688
10 C1b C 25.3258 -19.7673
11 N1c N 26.5357 -19.0688
12 C1a C 27.7455 -19.7673
13 O1a O 21.7026 -17.6721
14 N2b N 26.5357 -17.6721
15 O3a O 27.7663 -16.9613
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 13 1
14 11 14 1
15 14 15 2
|
|---|
