KEGG   COMPOUND: C06587
Entry
C06587                      Compound                               
Name
2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate
Formula
C12H9ClO4
Exact mass
252.0189
Mol weight
252.65
Structure
Reaction
R05245 R05359
Pathway
map00621  Dioxin degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  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: 8815
ChEBI: 28978
NIKKAJI: J2.762.473A
LinkDB
KCF data

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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