KEGG   COMPOUND: C16165Help
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
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
PubChem: 47205475
ChEBI: 63539
NIKKAJI: J2.798.477K
LinkDB All DBs
KCF data Show

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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