KEGG   COMPOUND: C06587Help
Entry
C06587                      Compound                               

Name
2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate
Formula
C12H9ClO4
Exact mass
252.0189
Mol weight
252.6505
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Dioxin degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00543  
Biphenyl degradation, biphenyl => 2-oxopent-4-enoate + benzoate
Enzyme
1.13.11.39      3.7.1.8
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C8y C    27.6256  -18.3641
            2   C5a C    28.8397  -17.6577
            3   C8x C    27.6256  -19.7652
            4   C8x C    26.4113  -17.6577
            5   C2b C    30.0539  -18.3525
            6   O5a O    28.8397  -16.2626
            7   C8x C    26.4113  -20.4657
            8   C8x C    25.1912  -18.3641
            9   C2b C    31.2623  -17.6577
            10  C8y C    25.1912  -19.7652
            11  C2b C    31.2565  -16.2568
            12  X   Cl   23.9828  -20.4657
            13  C2c C    32.4649  -15.5563
            14  C6a C    32.4649  -14.1610
            15  O1a O    33.6790  -16.2568
            16  O6a O    33.6733  -13.4605
            17  O6a O    31.2565  -13.4664
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     7  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 2
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   14  17 2
            17    8  10 2

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