| Entry |
|
|---|
| Name |
N'-Nitrosonornicotine;
NNN
|
|---|
| Formula |
C9H11N3O
|
|---|
| Exact mass |
177.0902
|
|---|
| Mol weight |
177.20
|
|---|
| Structure |
|
|---|
| Pathway |
| map05207 | Chemical carcinogenesis - receptor activation |
|
|---|
| Network |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 13
1 C8x C 14.1400 -9.1000
2 C8x C 14.1400 -10.5000
3 N5x N 15.3524 -11.2000
4 C8x C 16.5649 -10.5000
5 C8y C 16.5649 -9.1000
6 C8x C 15.3524 -8.4000
7 C1y C 17.7960 -8.3890
8 N1y N 19.0656 -8.9542
9 C1x C 19.9955 -7.9213
10 C1x C 19.3006 -6.7178
11 C1x C 17.9412 -7.0068
12 N2b N 19.3568 -10.3237
13 O3a O 20.7076 -10.7632
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 11 1
13 8 12 1
14 12 13 2
|
|---|
