KEGG   COMPOUND: C16645Help
Entry
C16645                      Compound                               

Name
(13Z,16Z)-Docosadienoyl-CoA;
(13Z,16Z)-Docosadi-13,16-enoyl-CoA;
13Z,16Z-Docosadienoyl-CoA
Formula
C43H74N7O17P3S
Exact mass
1085.4075
Mol weight
1086.0706
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Enzyme
3.1.2.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16645  (13Z,16Z)-Docosadienoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 51090970
ChEBI: 80632
NIKKAJI: J2.804.193D
LinkDB All DBs
KCF data Show

ATOM        71
            1   C1b C    26.4600  -21.0000
            2   C1b C    25.2000  -20.3000
            3   C1b C    23.9400  -21.0000
            4   C1b C    22.7500  -20.3000
            5   C1b C    21.5600  -21.0000
            6   C1b C    20.3000  -20.3000
            7   C1b C    19.0400  -21.0000
            8   C1b C    17.8500  -20.3000
            9   C1b C    16.5900  -21.0000
            10  C1b C    15.4700  -20.3000
            11  C1b C    14.2800  -21.0000
            12  C2b C    13.0200  -20.3000
            13  C2b C    11.6200  -20.3000
            14  C1b C    10.4300  -21.0000
            15  C2b C     9.2400  -20.3000
            16  C2b C     7.8400  -20.3000
            17  C1b C     6.5800  -21.0000
            18  C1b C     5.3900  -20.3000
            19  C1b C     4.2000  -21.0000
            20  C1b C     3.0100  -20.3000
            21  C1a C     1.7500  -21.0000
            22  C5a C    27.7200  -20.3000
            23  S2a S    28.9100  -21.0000
            24  C1b C    30.1000  -20.3000
            25  C1b C    31.3600  -21.0000
            26  N1b N    32.5500  -20.3000
            27  C5a C    33.7400  -21.0000
            28  C1b C    35.0000  -20.3000
            29  C1b C    36.1900  -21.0000
            30  N1b N    37.3800  -20.3000
            31  C5a C    38.6400  -21.0000
            32  C1c C    39.8300  -20.3000
            33  C1d C    41.0200  -21.0000
            34  C1b C    42.2100  -20.3000
            35  O2b O    43.4700  -21.0000
            36  O5a O    27.7200  -18.9000
            37  O5a O    33.7400  -22.4000
            38  O5a O    38.6400  -22.4000
            39  O1a O    39.8300  -18.9000
            40  C1a C    41.0200  -19.6000
            41  C1a C    41.0200  -22.4000
            42  P1b P    44.8700  -21.0000
            43  O1c O    46.2700  -21.0000
            44  O1c O    44.8700  -22.4000
            45  C1y C    38.3600  -16.0300
            46  C1y C    39.7600  -16.0300
            47  C1y C    40.1800  -14.7000
            48  O2x O    39.0600  -13.8600
            49  C1y C    37.9400  -14.7000
            50  C1b C    41.5100  -14.2800
            51  O1a O    37.5200  -17.1500
            52  O2b O    40.6000  -17.1500
            53  P1b P    42.0000  -17.1500
            54  O1c O    42.0000  -15.7500
            55  O1c O    43.4000  -17.1500
            56  O1c O    42.0000  -18.5500
            57  C8y C    33.8100  -12.8800
            58  C8y C    33.8100  -14.2800
            59  N4y N    36.2600  -14.2800
            60  C8x C    36.2600  -12.8800
            61  N5x N    35.0000  -12.1800
            62  C8y C    32.6200  -12.1800
            63  N5x N    31.3600  -12.8800
            64  C8x C    31.3600  -14.2800
            65  N5x N    32.6200  -14.9800
            66  N1a N    32.6200  -10.7800
            67  O2b O    43.4700  -14.7000
            68  P1b P    44.8700  -14.7000
            69  O1c O    44.8700  -13.3000
            70  O1c O    46.2700  -14.7000
            71  O2c O    44.8700  -17.9200
BOND        73
            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 2
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21    1  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   33  34 1
            34   34  35 1
            35   22  36 2
            36   27  37 2
            37   31  38 2
            38   32  39 1 #Down
            39   33  40 1
            40   33  41 1
            41   35  42 1
            42   42  43 2
            43   42  44 1
            44   45  46 1
            45   46  47 1
            46   47  48 1
            47   48  49 1
            48   45  49 1
            49   47  50 1 #Down
            50   45  51 1 #Up
            51   46  52 1 #Up
            52   52  53 1
            53   53  54 1
            54   53  55 1
            55   53  56 2
            56   57  58 2
            57   58  59 1
            58   59  60 1
            59   60  61 2
            60   57  61 1
            61   57  62 1
            62   62  63 2
            63   63  64 1
            64   64  65 2
            65   58  65 1
            66   62  66 1
            67   49  59 1 #Down
            68   50  67 1
            69   67  68 1
            70   68  69 1
            71   68  70 2
            72   68  71 1
            73   42  71 1

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