KEGG   COMPOUND: C21941Help
Entry
C21941                      Compound                               

Name
(7Z,10Z,13Z)-Docosatrienoyl-CoA
Formula
C43H72N7O17P3S
Exact mass
1083.3918
Mol weight
1084.0548
Structure
Mol fileKCF fileDB search
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01212  Fatty acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21941  (7Z,10Z,13Z)-Docosatrienoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376218974
KCF data Show

ATOM        71
            1   S2a S    28.9800  -20.5800
            2   C1b C    30.1700  -19.8800
            3   C1b C    31.4300  -20.5800
            4   N1b N    32.6200  -19.8800
            5   C5a C    33.8100  -20.5800
            6   C1b C    35.0700  -19.8800
            7   C1b C    36.2600  -20.5800
            8   N1b N    37.4500  -19.8800
            9   C5a C    38.7100  -20.5800
            10  C1c C    39.9000  -19.8800
            11  C1d C    41.0900  -20.5800
            12  C1b C    42.2800  -19.8800
            13  O2b O    43.5400  -20.5800
            14  O5a O    33.8100  -21.9800
            15  O5a O    38.7100  -21.9800
            16  O1a O    39.9000  -18.4800
            17  C1a C    41.0900  -19.1800
            18  C1a C    41.0900  -21.9800
            19  P1b P    44.9400  -20.5800
            20  O1c O    46.3400  -20.5800
            21  O1c O    44.9400  -21.9800
            22  C1y C    38.4300  -15.6100
            23  C1y C    39.8300  -15.6100
            24  C1y C    40.2500  -14.2800
            25  O2x O    39.1300  -13.4400
            26  C1y C    38.0100  -14.2800
            27  C1b C    41.5800  -13.8600
            28  O1a O    37.5900  -16.7300
            29  O2b O    40.6700  -16.7300
            30  P1b P    42.0700  -16.7300
            31  O1c O    42.0700  -15.3300
            32  O1c O    43.4700  -16.7300
            33  O1c O    42.0700  -18.1300
            34  C8y C    33.8800  -12.4600
            35  C8y C    33.8800  -13.8600
            36  N4y N    36.3300  -13.8600
            37  C8x C    36.3300  -12.4600
            38  N5x N    35.0700  -11.7600
            39  C8y C    32.6900  -11.7600
            40  N5x N    31.4300  -12.4600
            41  C8x C    31.4300  -13.8600
            42  N5x N    32.6900  -14.5600
            43  N1a N    32.6900  -10.3600
            44  O2b O    43.5400  -14.2800
            45  P1b P    44.9400  -14.2800
            46  O1c O    44.9400  -12.8800
            47  O1c O    46.3400  -14.2800
            48  O2c O    44.9400  -17.5000
            49  C5a C    27.8600  -19.8800
            50  O5a O    27.8600  -18.5500
            51  C1b C    26.6700  -20.5800
            52  C1b C    25.4800  -19.8800
            53  C1b C    24.2200  -20.5800
            54  C1b C    23.0300  -19.8800
            55  C1b C    21.8400  -20.5800
            56  C2b C    20.6500  -19.8800
            57  C2b C    19.2500  -19.8800
            58  C1b C    18.0600  -20.5800
            59  C2b C    16.8000  -19.8800
            60  C2b C    15.4000  -19.8800
            61  C1b C    14.2100  -20.5800
            62  C2b C    13.0200  -19.8800
            63  C2b C    11.6900  -19.8800
            64  C1b C    10.4300  -20.5800
            65  C1b C     9.2400  -19.8800
            66  C1b C     8.0276  -20.5800
            67  C1b C     6.8151  -19.8800
            68  C1b C     5.6027  -20.5800
            69  C1b C     4.3903  -19.8800
            70  C1b C     3.1778  -20.5800
            71  C1a C     1.9654  -19.8800
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 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 1
            58   55  56 1
            59   56  57 2
            60   57  58 1
            61   58  59 1
            62   59  60 2
            63   60  61 1
            64   61  62 1
            65   62  63 2
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   68  69 1
            72   69  70 1
            73   70  71 1

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