KEGG   COMPOUND: C16180Help
Entry
C16180                      Compound                               

Name
(11Z,14Z)-Icosadienoyl-CoA;
(11Z,14Z)-Icosa-11,14-dienoyl-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       1.14.19.37      3.1.2.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16180  (11Z,14Z)-Icosadienoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 47205489
ChEBI: 76534
NIKKAJI: J2.798.580G
KCF data Show

ATOM        69
            1   C1b C    23.9400  -21.0000
            2   C1b C    22.7500  -20.3000
            3   C1b C    21.4900  -21.0000
            4   C1b C    20.3000  -20.3000
            5   C1b C    19.1100  -21.0000
            6   C1b C    17.8500  -20.3000
            7   C1b C    16.5900  -21.0000
            8   C1b C    15.4700  -20.3000
            9   C1b C    14.2800  -21.0000
            10  C2b C    13.0200  -20.3000
            11  C2b C    11.6200  -20.3000
            12  C1b C    10.4300  -21.0000
            13  C2b C     9.2400  -20.3000
            14  C2b C     7.8400  -20.3000
            15  C1b C     6.5800  -21.0000
            16  C1b C     5.3900  -20.3000
            17  C1b C     4.2000  -21.0000
            18  C1b C     3.0100  -20.3000
            19  C1a C     1.7500  -21.0000
            20  C5a C    25.2000  -20.3000
            21  S2a S    26.3900  -21.0000
            22  C1b C    27.5800  -20.3000
            23  C1b C    28.8400  -21.0000
            24  N1b N    30.0300  -20.3000
            25  C5a C    31.2200  -21.0000
            26  C1b C    32.4800  -20.3000
            27  C1b C    33.6700  -21.0000
            28  N1b N    34.8600  -20.3000
            29  C5a C    36.1200  -21.0000
            30  C1c C    37.3100  -20.3000
            31  C1d C    38.5000  -21.0000
            32  C1b C    39.6900  -20.3000
            33  O2b O    40.9500  -21.0000
            34  O5a O    25.2000  -18.9000
            35  O5a O    31.2200  -22.4000
            36  O5a O    36.1200  -22.4000
            37  O1a O    37.3100  -18.9000
            38  C1a C    38.5000  -19.6000
            39  C1a C    38.5000  -22.4000
            40  P1b P    42.3500  -21.0000
            41  O1c O    43.7500  -21.0000
            42  O1c O    42.3500  -22.4000
            43  C1y C    35.8400  -16.0300
            44  C1y C    37.2400  -16.0300
            45  C1y C    37.6600  -14.7000
            46  O2x O    36.5400  -13.8600
            47  C1y C    35.4200  -14.7000
            48  C1b C    38.9900  -14.2800
            49  O1a O    35.0000  -17.1500
            50  O2b O    38.0800  -17.1500
            51  P1b P    39.4800  -17.1500
            52  O1c O    39.4800  -15.7500
            53  O1c O    40.8800  -17.1500
            54  O1c O    39.4800  -18.5500
            55  C8y C    31.2900  -12.8800
            56  C8y C    31.2900  -14.2800
            57  N4y N    33.7400  -14.2800
            58  C8x C    33.7400  -12.8800
            59  N5x N    32.4800  -12.1800
            60  C8y C    30.1000  -12.1800
            61  N5x N    28.8400  -12.8800
            62  C8x C    28.8400  -14.2800
            63  N5x N    30.1000  -14.9800
            64  N1a N    30.1000  -10.7800
            65  O2b O    40.9500  -14.7000
            66  P1b P    42.3500  -14.7000
            67  O1c O    42.3500  -13.3000
            68  O1c O    43.7500  -14.7000
            69  O2c O    42.3500  -17.9200
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 2
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19    1  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   20  34 2
            34   25  35 2
            35   29  36 2
            36   30  37 1 #Down
            37   31  38 1
            38   31  39 1
            39   33  40 1
            40   40  41 2
            41   40  42 1
            42   43  44 1
            43   44  45 1
            44   45  46 1
            45   46  47 1
            46   43  47 1
            47   45  48 1 #Down
            48   43  49 1 #Up
            49   44  50 1 #Up
            50   50  51 1
            51   51  52 1
            52   51  53 1
            53   51  54 2
            54   55  56 2
            55   56  57 1
            56   57  58 1
            57   58  59 2
            58   55  59 1
            59   55  60 1
            60   60  61 2
            61   61  62 1
            62   62  63 2
            63   56  63 1
            64   60  64 1
            65   47  57 1 #Down
            66   48  65 1
            67   65  66 1
            68   66  67 1
            69   66  68 2
            70   66  69 1
            71   40  69 1

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