KEGG   COMPOUND: C14573
Entry
C14573                      Compound                               
Name
3,3',4,4',5-Pentachlorobiphenyl;
PCB 126
Formula
C12H5Cl5
Exact mass
323.8834
Mol weight
326.4331
Structure
Pathway
map00621  Dioxin degradation
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)
Other DBs
CAS: 57465-28-8
PubChem: 17395573
ChEBI: 34317
NIKKAJI: J164.843H
LinkDB
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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