| Entry |
|
|---|
| Name |
alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol
|
|---|
| Formula |
C9H13N3O2
|
|---|
| Exact mass |
195.1008
|
|---|
| Mol weight |
195.2184
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00980 | Metabolism of xenobiotics by cytochrome P450 |
| map05204 | Chemical carcinogenesis - DNA adducts |
|
|---|
| Network |
nt06250 DNA adduct formation (cancer) |
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 14
1 N5x N 18.0600 -19.7400
2 C8x C 18.0600 -21.1400
3 C8x C 19.2500 -21.8400
4 C8x C 20.5100 -21.1400
5 C8y C 20.5100 -19.7400
6 C8x C 19.2500 -19.0400
7 C1c C 21.7000 -19.0400
8 C1b C 22.9600 -19.7400
9 C1b C 24.1500 -19.0400
10 C1b C 25.3400 -19.7400
11 N1b N 26.6000 -19.0400
12 O1a O 21.7000 -17.6400
13 N2b N 26.6000 -17.6400
14 O3a O 27.7900 -16.9400
BOND 14
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 7 12 1
13 11 13 1
14 13 14 2
|
|---|
