| Entry |
|
|---|
| Name |
2-Acetoxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine;
N-Acetoxy-PhIP
|
|---|
| Formula |
C15H14N4O2
|
|---|
| Exact mass |
282.1117
|
|---|
| Mol weight |
282.2973
|
|---|
| Structure |
|
|---|
| Pathway |
| map05204 | Chemical carcinogenesis - DNA adducts |
|
|---|
| Network |
nt06250 DNA adduct formation (cancer) |
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C8y C 18.4800 -16.5900
2 C8x C 18.4800 -17.9900
3 N5x N 19.6700 -18.6900
4 C8y C 20.8600 -17.9900
5 C8y C 20.8600 -16.5900
6 C8x C 19.6700 -15.8900
7 N5x N 22.1900 -18.4100
8 C8y C 23.0300 -17.2900
9 N4y N 22.1900 -16.1000
10 C8y C 17.2200 -15.8900
11 C8x C 17.2200 -14.4900
12 C8x C 16.0300 -13.7900
13 C8x C 14.8400 -14.4900
14 C8x C 14.8400 -15.8900
15 C8x C 16.0300 -16.5900
16 N1b N 24.4300 -17.2900
17 C1a C 22.6800 -14.7700
18 O7a O 25.1300 -18.4800
19 C7a C 26.5300 -18.4800
20 C1a C 27.2300 -19.6700
21 O6a O 27.2300 -17.2900
BOND 23
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
20 16 18 1
21 18 19 1
22 19 20 1
23 19 21 2
|
|---|
