KEGG   COMPOUND: C21981
Entry
C21981                      Compound                               

Name
(6Z,9Z)-Hexadecadienoyl-CoA
Formula
C37H62N7O17P3S
Exact mass
1001.3136
Mol weight
1001.9112
Structure
Pathway
map01040  Biosynthesis of unsaturated fatty acids
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21981  (6Z,9Z)-Hexadecadienoyl-CoA
Other DBs
PubChem: 376219014
KCF data

ATOM        65
            1   C1b C    18.7600  -20.5800
            2   C5a C    20.0200  -19.8800
            3   S2a S    21.2100  -20.5800
            4   C1b C    22.4000  -19.8800
            5   C1b C    23.6600  -20.5800
            6   N1b N    24.8500  -19.8800
            7   C5a C    26.0400  -20.5800
            8   C1b C    27.3000  -19.8800
            9   C1b C    28.4900  -20.5800
            10  N1b N    29.6800  -19.8800
            11  C5a C    30.9400  -20.5800
            12  C1c C    32.1300  -19.8800
            13  C1d C    33.3200  -20.5800
            14  C1b C    34.5100  -19.8800
            15  O2b O    35.7700  -20.5800
            16  O5a O    20.0200  -18.4800
            17  O5a O    26.0400  -21.9800
            18  O5a O    30.9400  -21.9800
            19  O1a O    32.1300  -18.4800
            20  C1a C    33.3200  -19.1800
            21  C1a C    33.3200  -21.9800
            22  P1b P    37.1700  -20.5800
            23  O1c O    38.5700  -20.5800
            24  O1c O    37.1700  -21.9800
            25  C1y C    30.6600  -15.6100
            26  C1y C    32.0600  -15.6100
            27  C1y C    32.4800  -14.2800
            28  O2x O    31.3600  -13.4400
            29  C1y C    30.2400  -14.2800
            30  C1b C    33.8100  -13.8600
            31  O1a O    29.8200  -16.7300
            32  O2b O    32.9000  -16.7300
            33  P1b P    34.3000  -16.7300
            34  O1c O    34.3000  -15.3300
            35  O1c O    35.7000  -16.7300
            36  O1c O    34.3000  -18.1300
            37  C8y C    26.1100  -12.4600
            38  C8y C    26.1100  -13.8600
            39  N4y N    28.5600  -13.8600
            40  C8x C    28.5600  -12.4600
            41  N5x N    27.3000  -11.7600
            42  C8y C    24.9200  -11.7600
            43  N5x N    23.6600  -12.4600
            44  C8x C    23.6600  -13.8600
            45  N5x N    24.9200  -14.5600
            46  N1a N    24.9200  -10.3600
            47  O2b O    35.7700  -14.2800
            48  P1b P    37.1700  -14.2800
            49  O1c O    37.1700  -12.8800
            50  O1c O    38.5700  -14.2800
            51  O2c O    37.1700  -17.5000
            52  C1b C    17.6400  -19.9500
            53  C1b C    16.4500  -20.6500
            54  C1b C    15.2600  -19.9500
            55  C2b C    14.0700  -20.6500
            56  C2b C    12.6700  -20.6500
            57  C1b C    11.4800  -19.9500
            58  C2b C    10.2200  -20.6500
            59  C2b C     8.8200  -20.6500
            60  C1b C     7.6300  -19.9500
            61  C1b C     6.4400  -20.6500
            62  C1b C     5.2500  -20.0200
            63  C1b C     4.0600  -20.6500
            64  C1b C     2.9400  -20.0200
            65  C1a C     1.7500  -20.6500
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 2
            59   56  57 1
            60   57  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1

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