KEGG   COMPOUND: C16165
Entry
C16165                      Compound                               

Name
(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA;
(5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenoyl-CoA
Formula
C41H64N7O17P3S
Exact mass
1051.3292
Mol weight
1051.9698
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
1.14.19.44      3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16165  (5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA
Other DBs
PubChem: 47205475
ChEBI: 63539
NIKKAJI: J2.798.477K
LinkDB
KCF data

ATOM        69
            1   S2a S    27.4400  -25.8300
            2   C1b C    28.6300  -25.1300
            3   C1b C    29.8900  -25.8300
            4   N1b N    31.0800  -25.1300
            5   C5a C    32.2700  -25.8300
            6   C1b C    33.5300  -25.1300
            7   C1b C    34.7200  -25.8300
            8   N1b N    35.9100  -25.1300
            9   C5a C    37.1700  -25.8300
            10  C1c C    38.3600  -25.1300
            11  C1d C    39.5500  -25.8300
            12  C1b C    40.7400  -25.1300
            13  O2b O    42.0000  -25.8300
            14  O5a O    32.2700  -27.2300
            15  O5a O    37.1700  -27.2300
            16  O1a O    38.3600  -23.7300
            17  C1a C    39.5500  -24.4300
            18  C1a C    39.5500  -27.2300
            19  P1b P    43.4000  -25.8300
            20  O1c O    44.8000  -25.8300
            21  O1c O    43.4000  -27.2300
            22  C1y C    36.8900  -20.8600
            23  C1y C    38.2900  -20.8600
            24  C1y C    38.7100  -19.5300
            25  O2x O    37.5900  -18.6900
            26  C1y C    36.4700  -19.5300
            27  C1b C    40.0400  -19.1100
            28  O1a O    36.0500  -21.9800
            29  O2b O    39.1300  -21.9800
            30  P1b P    40.5300  -21.9800
            31  O1c O    40.5300  -20.5800
            32  O1c O    41.9300  -21.9800
            33  O1c O    40.5300  -23.3800
            34  C8y C    32.3400  -17.7100
            35  C8y C    32.3400  -19.1100
            36  N4y N    34.7900  -19.1100
            37  C8x C    34.7900  -17.7100
            38  N5x N    33.5300  -17.0100
            39  C8y C    31.1500  -17.0100
            40  N5x N    29.8900  -17.7100
            41  C8x C    29.8900  -19.1100
            42  N5x N    31.1500  -19.8100
            43  N1a N    31.1500  -15.6100
            44  O2b O    42.0000  -19.5300
            45  P1b P    43.4000  -19.5300
            46  O1c O    43.4000  -18.1300
            47  O1c O    44.8000  -19.5300
            48  O2c O    43.4000  -22.7500
            49  C5a C    26.3200  -25.1300
            50  O5a O    26.3200  -23.8000
            51  C1b C    25.1300  -25.8300
            52  C1b C    23.9400  -25.1300
            53  C1b C    22.7500  -25.8300
            54  C2b C    21.5600  -25.1300
            55  C2b C    20.1600  -25.1300
            56  C1b C    18.9700  -25.8300
            57  C2b C    17.7100  -25.1300
            58  C2b C    16.3100  -25.1300
            59  C1b C    15.1200  -25.8300
            60  C2b C    13.9300  -25.1300
            61  C2b C    12.5300  -25.1300
            62  C1b C    11.2700  -25.8300
            63  C2b C    10.0800  -25.1300
            64  C2b C     8.7500  -25.1300
            65  C1b C     7.4900  -25.8300
            66  C2b C     6.3000  -25.1300
            67  C2b C     4.9000  -25.1300
            68  C1b C     3.6400  -25.8300
            69  C1a C     2.4500  -25.1300
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   54  55 2
            58   55  56 1
            59   56  57 1
            60   57  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 2
            67   64  65 1
            68   65  66 1
            69   66  67 2
            70   67  68 1
            71   68  69 1

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