KEGG   COMPOUND: C06671Help
Entry
C06671                      Compound                               

Name
2,4-Dichlorobenzoyl-CoA
Formula
C28H38Cl2N7O17P3S
Exact mass
939.0635
Mol weight
940.5303
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00364  Fluorobenzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.21.1.2        6.2.1.-
Other DBs
PubChem: 8896
ChEBI: 15470
NIKKAJI: J727.496C
LinkDB All DBs
KCF data Show

ATOM        58
            1   S2a S    17.4273  -23.4500
            2   C1b C    18.6397  -22.7500
            3   C1b C    19.8522  -23.4500
            4   N1b N    21.0646  -22.7500
            5   C5a C    22.2770  -23.4500
            6   C1b C    23.4895  -22.7500
            7   C1b C    24.7019  -23.4500
            8   N1b N    25.9144  -22.7500
            9   C5a C    27.1268  -23.4500
            10  C1c C    28.3392  -22.7500
            11  C1d C    29.5517  -23.4500
            12  C1b C    30.7641  -22.7500
            13  O2b O    31.9765  -23.4500
            14  O5a O    22.2770  -24.8499
            15  O5a O    27.1268  -24.8496
            16  O1a O    28.3392  -21.3500
            17  C1a C    29.5517  -22.0500
            18  C1a C    29.5517  -24.8500
            19  P1b P    33.3765  -23.4500
            20  O1c O    34.7765  -23.4500
            21  O1c O    33.3765  -24.8500
            22  C1y C    26.8800  -18.4800
            23  C1y C    28.2800  -18.4800
            24  C1y C    28.7126  -17.1485
            25  O2x O    27.5800  -16.3256
            26  C1y C    26.4474  -17.1485
            27  C1b C    30.0322  -16.7197
            28  O1a O    26.0571  -19.6126
            29  O2b O    29.1029  -19.6126
            30  P1b P    30.5029  -19.6126
            31  O1c O    30.5029  -18.2126
            32  O1c O    31.9029  -19.6126
            33  O1c O    30.5029  -21.0126
            34  C8y C    22.3300  -15.3300
            35  C8y C    22.3300  -16.7300
            36  N4y N    24.7549  -16.7300
            37  C8x C    24.7549  -15.3300
            38  N5x N    23.5424  -14.6300
            39  C8y C    21.1176  -14.6300
            40  N5x N    19.9051  -15.3300
            41  C8x C    19.9051  -16.7300
            42  N5x N    21.1176  -17.4300
            43  N1a N    21.1176  -13.2302
            44  O2b O    32.0145  -17.1520
            45  P1b P    33.4145  -17.1520
            46  O1c O    33.4145  -15.7520
            47  O1c O    34.8145  -17.1520
            48  O2c O    33.4145  -20.3720
            49  C5a C    16.2169  -22.7512
            50  C8y C    16.2169  -21.3512
            51  O5a O    15.0224  -23.4410
            52  C8x C    17.4471  -20.6408
            53  C8x C    17.4469  -19.2408
            54  C8y C    16.2344  -18.5409
            55  C8x C    15.0042  -19.2513
            56  C8y C    15.0044  -20.6513
            57  X   Cl   16.2343  -17.1500
            58  X   Cl   13.7745  -21.3618
BOND        61
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   49  51 2
            54   50  52 1
            55   52  53 2
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   50  56 2
            60   54  57 1
            61   56  58 1

» Japanese version

DBGET integrated database retrieval system