| Entry |
|
|---|
| Name |
2,3,7,8-Tetrachlorodibenzodioxin;
Tetrachlorodibenzodioxin;
2,3,7,8-Tetrachlorodibenzo-p-dioxin;
TCDD;
PCDD 48
|
|---|
| Formula |
C12H4Cl4O2
|
|---|
| Exact mass |
319.8965
|
|---|
| Mol weight |
321.96
|
|---|
| Structure |
|
|---|
| Pathway |
| map05207 | Chemical carcinogenesis - receptor activation |
| map05208 | Chemical carcinogenesis - reactive oxygen species |
|
|---|
| Network |
nt06227 Nuclear receptor signaling (cancer) |
|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Dioxins and dioxin-like compounds
PCDDs
C07557 2,3,7,8-Tetrachlorodibenzodioxin (PCDD 48)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 18
1 C8y C 26.1393 -16.0999
2 C8y C 26.1276 -17.4942
3 O2x O 24.9258 -15.4058
4 C8x C 27.3586 -15.4115
5 O2x O 24.9142 -18.1942
6 C8x C 27.3353 -18.2118
7 C8y C 23.7066 -16.0882
8 C8y C 28.5662 -16.1175
9 C8y C 23.7066 -17.4884
10 C8y C 28.5546 -17.5175
11 C8x C 22.4990 -15.3882
12 X Cl 29.7739 -15.4115
13 C8x C 22.4931 -18.1885
14 X Cl 29.7622 -18.2235
15 C8y C 21.2797 -16.0882
16 C8y C 21.2797 -17.4884
17 X Cl 20.0661 -15.3882
18 X Cl 20.0661 -18.1885
BOND 20
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 6 10 2
10 7 11 1
11 8 12 1
12 9 13 1
13 10 14 1
14 11 15 2
15 13 16 2
16 15 17 1
17 16 18 1
18 7 9 2
19 8 10 1
20 15 16 1
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