KEGG   COMPOUND: C21937
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
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
Other DBs
PubChem: 376218970
LinkDB
KCF data

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

» Japanese version

DBGET integrated database retrieval system