KEGG   COMPOUND: C21937Help
Entry
C21937                      Compound                               

Name
(8Z,11Z)-Icosadienoyl-CoA;
(8Z,11Z)-Eicosadienoyl-CoA;
8Z,11Z-Eicosadienoyl-CoA
Formula
C41H70N7O17P3S
Exact mass
1057.3762
Mol weight
1058.0175
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
1.14.19.3       1.14.19.44
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21937  (8Z,11Z)-Icosadienoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376218970
KCF data Show

ATOM        69
            1   C1b C    28.9100  -20.7200
            2   C1b C    27.7200  -20.0200
            3   C1b C    26.6000  -20.7200
            4   C1b C    25.3400  -20.0200
            5   C1b C    24.2200  -20.7200
            6   C1b C    23.1000  -20.0200
            7   C2b C    21.8400  -20.7200
            8   C5a C    30.1700  -20.0200
            9   S2a S    31.3600  -20.7200
            10  C1b C    32.5500  -20.0200
            11  C1b C    33.8100  -20.7200
            12  N1b N    35.0000  -20.0200
            13  C5a C    36.1900  -20.7200
            14  C1b C    37.4500  -20.0200
            15  C1b C    38.6400  -20.7200
            16  N1b N    39.8300  -20.0200
            17  C5a C    41.0900  -20.7200
            18  C1c C    42.2800  -20.0200
            19  C1d C    43.4700  -20.7200
            20  C1b C    44.6600  -20.0200
            21  O2b O    45.9200  -20.7200
            22  O5a O    30.1700  -18.6200
            23  O5a O    36.1900  -22.1200
            24  O5a O    41.0900  -22.1200
            25  O1a O    42.2800  -18.6200
            26  C1a C    43.4700  -19.3200
            27  C1a C    43.4700  -22.1200
            28  P1b P    47.3200  -20.7200
            29  O1c O    48.7200  -20.7200
            30  O1c O    47.3200  -22.1200
            31  C1y C    40.8100  -15.7500
            32  C1y C    42.2100  -15.7500
            33  C1y C    42.6300  -14.4200
            34  O2x O    41.5100  -13.5800
            35  C1y C    40.3900  -14.4200
            36  C1b C    43.9600  -14.0000
            37  O1a O    39.9700  -16.8700
            38  O2b O    43.0500  -16.8700
            39  P1b P    44.4500  -16.8700
            40  O1c O    44.4500  -15.4700
            41  O1c O    45.8500  -16.8700
            42  O1c O    44.4500  -18.2700
            43  C8y C    36.2600  -12.6000
            44  C8y C    36.2600  -14.0000
            45  N4y N    38.7100  -14.0000
            46  C8x C    38.7100  -12.6000
            47  N5x N    37.4500  -11.9000
            48  C8y C    35.0700  -11.9000
            49  N5x N    33.8100  -12.6000
            50  C8x C    33.8100  -14.0000
            51  N5x N    35.0700  -14.7000
            52  N1a N    35.0700  -10.5000
            53  O2b O    45.9200  -14.4200
            54  P1b P    47.3200  -14.4200
            55  O1c O    47.3200  -13.0200
            56  O1c O    48.7200  -14.4200
            57  O2c O    47.3200  -17.6400
            58  C2b C    20.4400  -20.7200
            59  C1b C    19.2500  -20.0200
            60  C2b C    17.9900  -20.7200
            61  C2b C    16.5900  -20.7200
            62  C1b C    15.3300  -20.0200
            63  C1b C    14.2100  -20.7200
            64  C1b C    13.0200  -20.0200
            65  C1b C    11.8300  -20.7200
            66  C1b C    10.7100  -20.0200
            67  C1b C     9.5200  -20.6500
            68  C1b C     8.3300  -19.8800
            69  C1a C     7.0700  -20.5100
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     1   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   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21    8  22 2
            22   13  23 2
            23   17  24 2
            24   18  25 1 #Down
            25   19  26 1
            26   19  27 1
            27   21  28 1
            28   28  29 2
            29   28  30 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  35 1
            34   31  35 1
            35   33  36 1 #Down
            36   31  37 1 #Up
            37   32  38 1 #Up
            38   38  39 1
            39   39  40 1
            40   39  41 1
            41   39  42 2
            42   43  44 2
            43   44  45 1
            44   45  46 1
            45   46  47 2
            46   43  47 1
            47   43  48 1
            48   48  49 2
            49   49  50 1
            50   50  51 2
            51   44  51 1
            52   48  52 1
            53   35  45 1 #Down
            54   36  53 1
            55   53  54 1
            56   54  55 1
            57   54  56 2
            58   54  57 1
            59   28  57 1
            60    7  58 2
            61   58  59 1
            62   59  60 1
            63   60  61 2
            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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