KEGG   COMPOUND: C21000
Entry
C21000                      Compound                               
Name
(9Z,12Z)-Hexadeca-9,12-dienoyl-CoA
Formula
C37H62N7O17P3S
Exact mass
1001.3136
Mol weight
1001.91
Structure
Reaction
Enzyme
1.14.19.6       1.14.19.13
Other DBs
PubChem: 254741458
LinkDB
KCF data

ATOM        65
            1   C1b C    31.6400  -24.0800
            2   C5a C    32.9000  -23.3800
            3   S2a S    34.0900  -24.0800
            4   C1b C    35.2800  -23.3800
            5   C1b C    36.5400  -24.0800
            6   N1b N    37.7300  -23.3800
            7   C5a C    38.9200  -24.0800
            8   C1b C    40.1800  -23.3800
            9   C1b C    41.3700  -24.0800
            10  N1b N    42.5600  -23.3800
            11  C5a C    43.8200  -24.0800
            12  C1c C    45.0100  -23.3800
            13  C1d C    46.2000  -24.0800
            14  C1b C    47.3900  -23.3800
            15  O2b O    48.6500  -24.0800
            16  O5a O    32.9000  -21.9800
            17  O5a O    38.9200  -25.4800
            18  O5a O    43.8200  -25.4800
            19  O1a O    45.0100  -21.9800
            20  C1a C    46.2000  -22.6800
            21  C1a C    46.2000  -25.4800
            22  P1b P    50.0500  -24.0800
            23  O1c O    51.4500  -24.0800
            24  O1c O    50.0500  -25.4800
            25  C1y C    43.5400  -19.1100
            26  C1y C    44.9400  -19.1100
            27  C1y C    45.3600  -17.7800
            28  O2x O    44.2400  -16.9400
            29  C1y C    43.1200  -17.7800
            30  C1b C    46.6900  -17.3600
            31  O1a O    42.7000  -20.2300
            32  O2b O    45.7800  -20.2300
            33  P1b P    47.1800  -20.2300
            34  O1c O    47.1800  -18.8300
            35  O1c O    48.5800  -20.2300
            36  O1c O    47.1800  -21.6300
            37  C8y C    38.9900  -15.9600
            38  C8y C    38.9900  -17.3600
            39  N4y N    41.4400  -17.3600
            40  C8x C    41.4400  -15.9600
            41  N5x N    40.1800  -15.2600
            42  C8y C    37.8000  -15.2600
            43  N5x N    36.5400  -15.9600
            44  C8x C    36.5400  -17.3600
            45  N5x N    37.8000  -18.0600
            46  N1a N    37.8000  -13.8600
            47  O2b O    48.6500  -17.7800
            48  P1b P    50.0500  -17.7800
            49  O1c O    50.0500  -16.3800
            50  O1c O    51.4500  -17.7800
            51  O2c O    50.0500  -21.0000
            52  C1b C    30.4500  -23.3800
            53  C1b C    29.1900  -24.0800
            54  C1b C    28.0000  -23.3800
            55  C1b C    26.8100  -24.0800
            56  C1b C    25.5500  -23.3800
            57  C1b C    24.3600  -24.0800
            58  C2b C    23.1700  -23.3800
            59  C2b C    21.4900  -23.3800
            60  C1b C    20.3000  -24.0800
            61  C2b C    19.0819  -23.3899
            62  C2b C    17.6819  -23.3899
            63  C1b C    16.4695  -24.0899
            64  C1b C    15.2382  -23.3790
            65  C1a C    14.0418  -24.0699
BOND        67
            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 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 1
            64   61  62 2
            65   62  63 1
            66   63  64 1
            67   64  65 1

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