Entry |
|
Name |
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine;
PhIP
|
Formula |
C13H12N4
|
Exact mass |
224.1062
|
Mol weight |
224.2612
|
Structure |
|
Pathway |
map05204 | Chemical carcinogenesis - DNA adducts |
map05208 | Chemical carcinogenesis - reactive oxygen species |
|
Network |
nt06250 DNA adduct formation (cancer) |
Other DBs |
|
KCF data |
ATOM 17
1 C8y C 17.0800 -17.2900
2 C8x C 17.0800 -18.6900
3 N5x N 18.2924 -19.3900
4 C8y C 19.5049 -18.6900
5 C8y C 19.5049 -17.2900
6 C8x C 18.2924 -16.5900
7 N5x N 20.8364 -19.1226
8 C8y C 21.6593 -17.9900
9 N4y N 20.8364 -16.8574
10 C8y C 15.8676 -16.5900
11 C8x C 15.8676 -15.1902
12 C8x C 14.6551 -14.4902
13 C8x C 13.4427 -15.1902
14 C8x C 13.4427 -16.5900
15 C8x C 14.6551 -17.2900
16 N1a N 23.0300 -17.9900
17 C1a C 21.2675 -15.5306
BOND 19
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 1 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 8 16 1
19 9 17 1
|