KEGG   COMPOUND: C21083
Entry
C21083                      Compound                               
Name
(5Z,11Z,14Z,17Z)-Icosa-5,11,14,17-tetraenoyl-CoA
Formula
C41H66N7O17P3S
Exact mass
1053.3449
Mol weight
1053.9857
Structure
Reaction
Enzyme
Other DBs
PubChem: 295369345
KCF data

ATOM        69
            1   C1b C    28.9800  -20.7900
            2   C1b C    27.7200  -21.4900
            3   C1b C    30.1700  -21.4900
            4   C5a C    31.4300  -20.7900
            5   S2a S    32.6200  -21.4900
            6   C1b C    33.8100  -20.7900
            7   C1b C    35.0700  -21.4900
            8   N1b N    36.2600  -20.7900
            9   C5a C    37.4500  -21.4900
            10  C1b C    38.7100  -20.7900
            11  C1b C    39.9000  -21.4900
            12  N1b N    41.0900  -20.7900
            13  C5a C    42.3500  -21.4900
            14  C1c C    43.5400  -20.7900
            15  C1d C    44.7300  -21.4900
            16  C1b C    45.9200  -20.7900
            17  O2b O    47.1800  -21.4900
            18  O5a O    31.4300  -19.3900
            19  O5a O    37.4500  -22.8900
            20  O5a O    42.3500  -22.8900
            21  O1a O    43.5400  -19.3900
            22  C1a C    44.7300  -20.0900
            23  C1a C    44.7300  -22.8900
            24  P1b P    48.5800  -21.4900
            25  O1c O    49.9800  -21.4900
            26  O1c O    48.5800  -22.8900
            27  C1y C    42.0700  -16.5200
            28  C1y C    43.4700  -16.5200
            29  C1y C    43.8900  -15.1900
            30  O2x O    42.7700  -14.3500
            31  C1y C    41.6500  -15.1900
            32  C1b C    45.2200  -14.7700
            33  O1a O    41.2300  -17.6400
            34  O2b O    44.3100  -17.6400
            35  P1b P    45.7100  -17.6400
            36  O1c O    45.7100  -16.2400
            37  O1c O    47.1100  -17.6400
            38  O1c O    45.7100  -19.0400
            39  C8y C    37.5200  -13.3700
            40  C8y C    37.5200  -14.7700
            41  N4y N    39.9700  -14.7700
            42  C8x C    39.9700  -13.3700
            43  N5x N    38.7100  -12.6700
            44  C8y C    36.3300  -12.6700
            45  N5x N    35.0700  -13.3700
            46  C8x C    35.0700  -14.7700
            47  N5x N    36.3300  -15.4700
            48  N1a N    36.3300  -11.2700
            49  O2b O    47.1800  -15.1900
            50  P1b P    48.5800  -15.1900
            51  O1c O    48.5800  -13.7900
            52  O1c O    49.9800  -15.1900
            53  O2c O    48.5800  -18.4100
            54  C2b C    26.5193  -20.7701
            55  C2b C    25.1193  -20.7701
            56  C1b C    23.9894  -21.5500
            57  C1b C    22.7976  -20.8600
            58  C1b C    21.5851  -21.5600
            59  C1b C    20.3727  -20.8600
            60  C2b C    19.1603  -21.5600
            61  C2b C    17.7603  -21.5600
            62  C1b C    16.5478  -20.8600
            63  C2b C    15.3354  -21.5600
            64  C2b C    13.9354  -21.5600
            65  C1b C    12.7230  -20.8600
            66  C2b C    11.5234  -21.5527
            67  C2b C    10.1234  -21.5527
            68  C1b C     8.9110  -20.8527
            69  C1a C     7.6797  -21.5637
BOND        71
            1     1   2 1
            2     1   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   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17    4  18 2
            18    9  19 2
            19   13  20 2
            20   14  21 1 #Down
            21   15  22 1
            22   15  23 1
            23   17  24 1
            24   24  25 2
            25   24  26 1
            26   27  28 1
            27   28  29 1
            28   29  30 1
            29   30  31 1
            30   27  31 1
            31   29  32 1 #Down
            32   27  33 1 #Up
            33   28  34 1 #Up
            34   34  35 1
            35   35  36 1
            36   35  37 1
            37   35  38 2
            38   39  40 2
            39   40  41 1
            40   41  42 1
            41   42  43 2
            42   39  43 1
            43   39  44 1
            44   44  45 2
            45   45  46 1
            46   46  47 2
            47   40  47 1
            48   44  48 1
            49   31  41 1 #Down
            50   32  49 1
            51   49  50 1
            52   50  51 1
            53   50  52 2
            54   50  53 1
            55   24  53 1
            56    2  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 2
            64   61  62 1
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   65  66 1
            69   66  67 2
            70   67  68 1
            71   68  69 1

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