KEGG   COMPOUND: C20947
Entry
C20947                      Compound                               
Name
(Z)-Icos-5-enoyl-CoA
Formula
C41H72N7O17P3S
Exact mass
1059.3918
Mol weight
1060.04
Structure
Reaction
Enzyme
Other DBs
PubChem: 254741409
LinkDB
KCF data

ATOM        69
            1   C1b C    35.2800  -27.6500
            2   C5a C    36.5400  -26.9500
            3   S2a S    37.7300  -27.6500
            4   C1b C    38.9200  -26.9500
            5   C1b C    40.1800  -27.6500
            6   N1b N    41.3700  -26.9500
            7   C5a C    42.5600  -27.6500
            8   C1b C    43.8200  -26.9500
            9   C1b C    45.0100  -27.6500
            10  N1b N    46.2000  -26.9500
            11  C5a C    47.4600  -27.6500
            12  C1c C    48.6500  -26.9500
            13  C1d C    49.8400  -27.6500
            14  C1b C    51.0300  -26.9500
            15  O2b O    52.2900  -27.6500
            16  O5a O    36.5400  -25.5500
            17  O5a O    42.5600  -29.0500
            18  O5a O    47.4600  -29.0500
            19  O1a O    48.6500  -25.5500
            20  C1a C    49.8400  -26.2500
            21  C1a C    49.8400  -29.0500
            22  P1b P    53.6900  -27.6500
            23  O1c O    55.0900  -27.6500
            24  O1c O    53.6900  -29.0500
            25  C1y C    47.1800  -22.6800
            26  C1y C    48.5800  -22.6800
            27  C1y C    49.0000  -21.3500
            28  O2x O    47.8800  -20.5100
            29  C1y C    46.7600  -21.3500
            30  C1b C    50.3300  -20.9300
            31  O1a O    46.3400  -23.8000
            32  O2b O    49.4200  -23.8000
            33  P1b P    50.8200  -23.8000
            34  O1c O    50.8200  -22.4000
            35  O1c O    52.2200  -23.8000
            36  O1c O    50.8200  -25.2000
            37  C8y C    42.6300  -19.5300
            38  C8y C    42.6300  -20.9300
            39  N4y N    45.0800  -20.9300
            40  C8x C    45.0800  -19.5300
            41  N5x N    43.8200  -18.8300
            42  C8y C    41.4400  -18.8300
            43  N5x N    40.1800  -19.5300
            44  C8x C    40.1800  -20.9300
            45  N5x N    41.4400  -21.6300
            46  N1a N    41.4400  -17.4300
            47  O2b O    52.2900  -21.3500
            48  P1b P    53.6900  -21.3500
            49  O1c O    53.6900  -19.9500
            50  O1c O    55.0900  -21.3500
            51  O2c O    53.6900  -24.5700
            52  C1b C    34.1600  -27.0200
            53  C1b C    33.0400  -27.6500
            54  C2b C    31.9200  -27.0200
            55  C2b C    30.5200  -27.0200
            56  C1b C    29.3076  -27.7200
            57  C1b C    28.0951  -27.0200
            58  C1b C    26.8576  -27.7200
            59  C1b C    25.6451  -27.0200
            60  C1b C    24.4327  -27.7200
            61  C1b C    23.2203  -27.0200
            62  C1b C    22.0078  -27.7200
            63  C1b C    20.7954  -27.0200
            64  C1b C    19.5830  -27.7200
            65  C1b C    18.3705  -27.0200
            66  C1b C    17.1581  -27.7200
            67  C1b C    15.9456  -27.0200
            68  C1b C    14.7332  -27.7200
            69  C1a C    13.5208  -27.0200
BOND        71
            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   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   53  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 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   68  69 1

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