| Entry |
|
|---|
| Name |
alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol
|
|---|
| Formula |
C10H15N3O3
|
|---|
| Exact mass |
225.1113
|
|---|
| Mol weight |
225.24
|
|---|
| 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 16
1 N5x N 18.0417 -19.7671
2 C8x C 18.0417 -21.1641
3 C8x C 19.2515 -21.8626
4 C8x C 20.4614 -21.1641
5 C8y C 20.4614 -19.7671
6 C8x C 19.2515 -19.0686
7 C1c C 21.6962 -19.0686
8 C1b C 22.9061 -19.7671
9 C1b C 24.1159 -19.0686
10 C1b C 25.3256 -19.7671
11 N1c N 26.5355 -19.0686
12 C1b C 27.7453 -19.7671
13 O1a O 21.7024 -17.6719
14 N2b N 26.5355 -17.6719
15 O3a O 27.7661 -16.9612
16 O1a O 28.9500 -19.0713
BOND 16
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
16 12 16 1
|
|---|
