KEGG   COMPOUND: C23144
Entry
C23144                      Compound                               
Name
Chrysanthemoyl-CoA;
(1R,3R)-Chrysanthemoyl-CoA
Formula
C31H50N7O17P3S
Exact mass
917.2197
Mol weight
917.75
Structure
Reaction
LinkDB
KCF data

ATOM        59
            1   C1y C    16.6335  -18.5225
            2   C1y C    15.2362  -18.5225
            3   C1z C    15.9319  -17.3064
            4   C2b C    14.0200  -17.8209
            5   C1a C    15.2245  -16.0902
            6   C1a C    16.6218  -16.0902
            7   C2c C    12.8156  -18.5225
            8   C1a C    11.6053  -17.8209
            9   C1a C    12.8156  -19.9200
            10  C5a C    17.8249  -17.7800
            11  S2a S    19.0373  -18.4800
            12  C1b C    20.2497  -17.7800
            13  C1b C    21.4622  -18.4800
            14  N1b N    22.6746  -17.7800
            15  C5a C    23.8870  -18.4800
            16  C1b C    25.0995  -17.7800
            17  C1b C    26.3119  -18.4800
            18  N1b N    27.5244  -17.7800
            19  C5a C    28.7368  -18.4800
            20  C1c C    29.9492  -17.7800
            21  C1d C    31.1617  -18.4800
            22  C1b C    32.3741  -17.7800
            23  O2b O    33.5865  -18.4800
            24  O5a O    17.8249  -16.3802
            25  O5a O    23.8870  -19.8799
            26  O5a O    28.7368  -19.8796
            27  O1a O    29.9492  -16.3800
            28  C1a C    31.1617  -17.0800
            29  C1a C    31.1617  -19.8800
            30  P1b P    34.9865  -18.4800
            31  O1c O    36.3865  -18.4800
            32  O1c O    34.9865  -19.8800
            33  C1y C    28.4900  -13.5100
            34  C1y C    29.8900  -13.5100
            35  C1y C    30.3226  -12.1785
            36  O2x O    29.1900  -11.3556
            37  C1y C    28.0574  -12.1785
            38  C1b C    31.6422  -11.7497
            39  O1a O    27.6671  -14.6426
            40  O2b O    30.7129  -14.6426
            41  P1b P    32.1129  -14.6426
            42  O1c O    32.1129  -13.2426
            43  O1c O    33.5129  -14.6426
            44  O1c O    32.1129  -16.0426
            45  C8y C    23.9400  -10.3600
            46  C8y C    23.9400  -11.7600
            47  N4y N    26.3649  -11.7600
            48  C8x C    26.3649  -10.3600
            49  N5x N    25.1524   -9.6600
            50  C8y C    22.7276   -9.6600
            51  N5x N    21.5151  -10.3600
            52  C8x C    21.5151  -11.7600
            53  N5x N    22.7276  -12.4600
            54  N1a N    22.7276   -8.2602
            55  O2b O    33.6245  -12.1820
            56  P1b P    35.0245  -12.1820
            57  O1c O    35.0245  -10.7820
            58  O1c O    36.4245  -12.1820
            59  O2c O    35.0245  -15.4020
BOND        62
            1     1   2 1
            2     1   3 1
            3     2   4 1 #Up
            4     3   5 1
            5     3   6 1
            6     4   7 2
            7     7   8 1
            8     7   9 1
            9     2   3 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   10  24 2
            24   15  25 2
            25   19  26 2
            26   20  27 1 #Down
            27   21  28 1
            28   21  29 1
            29   23  30 1
            30   30  31 2
            31   30  32 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   33  37 1
            37   35  38 1 #Down
            38   33  39 1 #Up
            39   34  40 1 #Up
            40   40  41 1
            41   41  42 1
            42   41  43 1
            43   41  44 2
            44   45  46 2
            45   46  47 1
            46   47  48 1
            47   48  49 2
            48   45  49 1
            49   45  50 1
            50   50  51 2
            51   51  52 1
            52   52  53 2
            53   46  53 1
            54   50  54 1
            55   37  47 1 #Down
            56   38  55 1
            57   55  56 1
            58   56  57 1
            59   56  58 2
            60   56  59 1
            61   30  59 1
            62    1  10 1 #Down

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