KEGG   COMPOUND: C20999
Entry
C20999                      Compound                               
Name
(10E,12Z)-Hexadeca-10,12-dienoyl-CoA
Formula
C37H62N7O17P3S
Exact mass
1001.3136
Mol weight
1001.91
Structure
Reaction
Enzyme
Other DBs
PubChem: 254741457
LinkDB
KCF data

ATOM        65
            1   C1b C    38.4524  -24.5000
            2   C5a C    39.6649  -23.8000
            3   S2a S    40.8773  -24.5000
            4   C1b C    42.0897  -23.8000
            5   C1b C    43.3022  -24.5000
            6   N1b N    44.5146  -23.8000
            7   C5a C    45.7270  -24.5000
            8   C1b C    46.9395  -23.8000
            9   C1b C    48.1519  -24.5000
            10  N1b N    49.3644  -23.8000
            11  C5a C    50.5768  -24.5000
            12  C1c C    51.7892  -23.8000
            13  C1d C    53.0017  -24.5000
            14  C1b C    54.2141  -23.8000
            15  O2b O    55.4265  -24.5000
            16  O5a O    39.6649  -22.4002
            17  O5a O    45.7270  -25.8999
            18  O5a O    50.5768  -25.8996
            19  O1a O    51.7892  -22.4000
            20  C1a C    53.0017  -23.1000
            21  C1a C    53.0017  -25.9000
            22  P1b P    56.8265  -24.5000
            23  O1c O    58.2265  -24.5000
            24  O1c O    56.8265  -25.9000
            25  C1y C    50.3300  -19.5300
            26  C1y C    51.7300  -19.5300
            27  C1y C    52.1626  -18.1985
            28  O2x O    51.0300  -17.3756
            29  C1y C    49.8974  -18.1985
            30  C1b C    53.4822  -17.7697
            31  O1a O    49.5071  -20.6626
            32  O2b O    52.5529  -20.6626
            33  P1b P    53.9529  -20.6626
            34  O1c O    53.9529  -19.2626
            35  O1c O    55.3529  -20.6626
            36  O1c O    53.9529  -22.0626
            37  C8y C    45.7800  -16.3800
            38  C8y C    45.7800  -17.7800
            39  N4y N    48.2049  -17.7800
            40  C8x C    48.2049  -16.3800
            41  N5x N    46.9924  -15.6800
            42  C8y C    44.5676  -15.6800
            43  N5x N    43.3551  -16.3800
            44  C8x C    43.3551  -17.7800
            45  N5x N    44.5676  -18.4800
            46  N1a N    44.5676  -14.2802
            47  O2b O    55.4645  -18.2020
            48  P1b P    56.8645  -18.2020
            49  O1c O    56.8645  -16.8020
            50  O1c O    58.2645  -18.2020
            51  O2c O    56.8645  -21.4220
            52  C1b C    37.2176  -23.8000
            53  C1b C    36.0051  -24.5000
            54  C1b C    34.7927  -23.8000
            55  C1b C    33.5803  -24.5000
            56  C1b C    32.3678  -23.8000
            57  C1b C    31.1554  -24.5000
            58  C1b C    29.9430  -23.8000
            59  C2b C    28.7305  -24.5000
            60  C2b C    27.5181  -23.8000
            61  C2b C    26.2996  -24.5035
            62  C2b C    24.8996  -24.5035
            63  C1b C    23.6872  -23.8035
            64  C1b C    22.4561  -24.5146
            65  C1a C    21.2478  -23.8172
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 1
            62   59  60 2
            63   60  61 1
            64   61  62 2
            65   62  63 1
            66   63  64 1
            67   64  65 1

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