KEGG   COMPOUND: C13621
Entry
C13621                      Compound                               
Name
Tribromobisphenol A;
3,3',5-Tribromobisphenol A
Formula
C15H13Br3O2
Exact mass
461.8466
Mol weight
464.97
Structure
Reaction
R06876 R06877
Pathway
map00363  Bisphenol degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.97.1.-
Other DBs
CAS: 6386-73-8
PubChem: 586239
ChEBI: 33218
NIKKAJI: J207.000F
LinkDB
KCF data

ATOM        20
            1   C8y C    25.2400  -15.8727
            2   C8y C    25.3018  -17.2727
            3   C8y C    26.4431  -17.9796
            4   C8x C    27.6554  -17.2866
            5   C8y C    27.6634  -15.8866
            6   C8x C    26.4592  -15.1796
            7   O1a O    24.0158  -17.9664
            8   C1d C    28.8805  -15.1945
            9   C8y C    30.0884  -15.9024
            10  C1a C    27.6593  -14.4893
            11  C1a C    30.0845  -14.4823
            12  C8x C    30.0752  -17.2957
            13  C8y C    31.2831  -18.0036
            14  C8y C    32.5000  -17.3115
            15  C8x C    32.5090  -15.9115
            16  C8x C    31.3012  -15.2037
            17  O1a O    33.7079  -18.0193
            18  X   Br   24.0319  -15.1652
            19  X   Br   26.4368  -19.3796
            20  X   Br   31.2739  -19.4036
BOND        21
            1     8  10 1
            2     4   5 1
            3     8  11 1
            4     5   6 2
            5     6   1 1
            6     2   7 1
            7     1   2 2
            8     9  12 2
            9    12  13 1
            10   13  14 2
            11   14  15 1
            12   15  16 2
            13   16   9 1
            14    5   8 1
            15   14  17 1
            16    2   3 1
            17    1  18 1
            18    8   9 1
            19    3  19 1
            20    3   4 2
            21   13  20 1

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