KEGG   COMPOUND: C16164
Entry
C16164                      Compound                               

Name
(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA;
(8Z,11Z,14Z,17Z)-Icosa-8,11,14,17-tetraenoyl-CoA
Formula
C41H66N7O17P3S
Exact mass
1053.3449
Mol weight
1053.9857
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
    C16164  (8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA
Other DBs
PubChem: 47205474
NIKKAJI: J2.798.476B
LinkDB
KCF data

ATOM        69
            1   S2a S    27.4400  -24.7800
            2   C1b C    28.6300  -24.0800
            3   C1b C    29.8900  -24.7800
            4   N1b N    31.0800  -24.0800
            5   C5a C    32.2700  -24.7800
            6   C1b C    33.5300  -24.0800
            7   C1b C    34.7200  -24.7800
            8   N1b N    35.9100  -24.0800
            9   C5a C    37.1700  -24.7800
            10  C1c C    38.3600  -24.0800
            11  C1d C    39.5500  -24.7800
            12  C1b C    40.7400  -24.0800
            13  O2b O    42.0000  -24.7800
            14  O5a O    32.2700  -26.1800
            15  O5a O    37.1700  -26.1800
            16  O1a O    38.3600  -22.6800
            17  C1a C    39.5500  -23.3800
            18  C1a C    39.5500  -26.1800
            19  P1b P    43.4000  -24.7800
            20  O1c O    44.8000  -24.7800
            21  O1c O    43.4000  -26.1800
            22  C1y C    36.8900  -19.8100
            23  C1y C    38.2900  -19.8100
            24  C1y C    38.7100  -18.4800
            25  O2x O    37.5900  -17.6400
            26  C1y C    36.4700  -18.4800
            27  C1b C    40.0400  -18.0600
            28  O1a O    36.0500  -20.9300
            29  O2b O    39.1300  -20.9300
            30  P1b P    40.5300  -20.9300
            31  O1c O    40.5300  -19.5300
            32  O1c O    41.9300  -20.9300
            33  O1c O    40.5300  -22.3300
            34  C8y C    32.3400  -16.6600
            35  C8y C    32.3400  -18.0600
            36  N4y N    34.7900  -18.0600
            37  C8x C    34.7900  -16.6600
            38  N5x N    33.5300  -15.9600
            39  C8y C    31.1500  -15.9600
            40  N5x N    29.8900  -16.6600
            41  C8x C    29.8900  -18.0600
            42  N5x N    31.1500  -18.7600
            43  N1a N    31.1500  -14.5600
            44  O2b O    42.0000  -18.4800
            45  P1b P    43.4000  -18.4800
            46  O1c O    43.4000  -17.0800
            47  O1c O    44.8000  -18.4800
            48  O2c O    43.4000  -21.7000
            49  C5a C    26.3200  -24.0800
            50  O5a O    26.3200  -22.8200
            51  C1b C    25.1300  -24.7800
            52  C1b C    23.9400  -24.0800
            53  C1b C    22.6800  -24.7800
            54  C1b C    21.4900  -24.0800
            55  C1b C    20.3000  -24.7800
            56  C1b C    19.1100  -24.0800
            57  C2b C    17.8500  -24.7800
            58  C2b C    16.4500  -24.7800
            59  C1b C    15.2600  -24.0800
            60  C2b C    14.0000  -24.7800
            61  C2b C    12.6000  -24.7800
            62  C1b C    11.3400  -24.0800
            63  C2b C    10.1500  -24.7800
            64  C2b C     8.7500  -24.7800
            65  C1b C     7.5600  -24.0800
            66  C2b C     6.3000  -24.7800
            67  C2b C     4.9000  -24.7800
            68  C1b C     3.6400  -24.0800
            69  C1a C     2.4500  -24.7800
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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 2
            53   49  51 1
            54   51  52 1
            55   52  53 1
            56   53  54 1
            57   55  56 1
            58   56  57 1
            59   57  58 2
            60   58  59 1
            61   59  60 1
            62   60  61 2
            63   61  62 1
            64   62  63 1
            65   63  64 2
            66   64  65 1
            67   65  66 1
            68   66  67 2
            69   67  68 1
            70   68  69 1
            71   55  54 1

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