| Entry |
|
|---|
| Name |
3,3',4,4',5-Pentachlorobiphenyl;
PCB 126
|
|---|
| Formula |
C12H5Cl5
|
|---|
| Exact mass |
323.8834
|
|---|
| Mol weight |
326.42
|
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| Structure |
|
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| Pathway |
| map05207 | Chemical carcinogenesis - receptor activation |
|
|---|
| Network |
nt06227 Nuclear receptor signaling (cancer) |
|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Dioxins and dioxin-like compounds
Non-ortho (coplanar) PCBs
C14573 3,3',4,4',5-Pentachlorobiphenyl (PCB 126)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 17
1 C8x C 15.1900 -26.8100
2 C8x C 16.5900 -26.8100
3 C8y C 17.2900 -25.5976
4 C8x C 16.5900 -24.3851
5 C8y C 15.1900 -24.3851
6 C8y C 14.4900 -25.5976
7 C8y C 18.6898 -25.5976
8 C8x C 19.3997 -26.8268
9 C8y C 20.7997 -26.8266
10 C8y C 21.4996 -25.6141
11 C8y C 20.7897 -24.3849
12 C8x C 19.3897 -24.3851
13 X Cl 14.4790 -23.1540
14 X Cl 13.0902 -25.5976
15 X Cl 21.5006 -23.1537
16 X Cl 22.8900 -25.6140
17 X Cl 21.4902 -28.0223
BOND 18
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 3 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 5 13 1
15 6 14 1
16 11 15 1
17 10 16 1
18 9 17 1
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