| Entry |
|
|---|
| Name |
4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone;
NNK
|
|---|
| Formula |
C10H13N3O2
|
|---|
| Exact mass |
207.1008
|
|---|
| Mol weight |
207.23
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
| map05204 | Chemical carcinogenesis - DNA adducts |
| map05207 | Chemical carcinogenesis - receptor activation |
| map05208 | Chemical carcinogenesis - reactive oxygen species |
|
|---|
| Network |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 15
1 N5x N 8.4000 -19.8100
2 C8x C 8.4000 -21.2100
3 C8x C 9.6124 -21.9100
4 C8x C 10.8249 -21.2100
5 C8y C 10.8249 -19.8100
6 C8x C 9.6124 -19.1100
7 C5a C 12.0624 -19.1100
8 C1b C 13.2749 -19.8100
9 C1b C 14.4873 -19.1100
10 C1b C 15.6997 -19.8100
11 N1c N 16.9122 -19.1100
12 C1a C 18.1246 -19.8100
13 O5a O 12.0686 -17.7103
14 N2b N 16.9122 -17.7103
15 O3a O 18.1454 -16.9980
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 2
14 11 14 1
15 14 15 2
|
|---|
