KEGG   COMPOUND: C21961Help
Entry
C21961                      Compound                               

Name
(11Z,14Z,17Z,20Z)-Hexacosatetraenoyl-CoA
Formula
C47H78N7O17P3S
Exact mass
1137.4388
Mol weight
1138.1452
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
    C21961  (11Z,14Z,17Z,20Z)-Hexacosatetraenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376218994
KCF data Show

ATOM        75
            1   S2a S    35.4900  -20.4400
            2   C1b C    36.6100  -19.7400
            3   C1b C    37.8700  -20.4400
            4   N1b N    38.9900  -19.7400
            5   C5a C    40.1100  -20.4400
            6   C1b C    41.3000  -19.7400
            7   C1b C    42.4200  -20.4400
            8   N1b N    43.5400  -19.7400
            9   C5a C    44.8000  -20.4400
            10  C1c C    45.9200  -19.7400
            11  C1d C    47.0400  -20.4400
            12  C1b C    48.1600  -19.7400
            13  O2b O    49.3500  -20.4400
            14  O5a O    40.1100  -21.7700
            15  O5a O    44.8000  -21.7700
            16  O1a O    45.9200  -18.4100
            17  C1a C    47.0400  -19.1100
            18  C1a C    47.0400  -21.7700
            19  P1b P    50.6800  -20.4400
            20  O1c O    52.0100  -20.4400
            21  O1c O    50.6800  -21.7700
            22  C1y C    44.5200  -15.6800
            23  C1y C    45.8500  -15.6800
            24  C1y C    46.2700  -14.4200
            25  O2x O    45.1500  -13.6500
            26  C1y C    44.1000  -14.4200
            27  C1b C    47.5300  -14.0000
            28  O1a O    43.6800  -16.7300
            29  O2b O    46.6200  -16.7300
            30  P1b P    47.9500  -16.7300
            31  O1c O    47.9500  -15.4000
            32  O1c O    49.2800  -16.7300
            33  O1c O    47.9500  -18.0600
            34  C8y C    40.1800  -12.6700
            35  C8y C    40.1800  -14.0000
            36  N4y N    42.4900  -14.0000
            37  C8x C    42.4900  -12.6700
            38  N5x N    41.3000  -12.0400
            39  C8y C    39.0600  -12.0400
            40  N5x N    37.8700  -12.6700
            41  C8x C    37.8700  -14.0000
            42  N5x N    39.0600  -14.7000
            43  N1a N    39.0600  -10.7100
            44  O2b O    49.3500  -14.4200
            45  P1b P    50.6800  -14.4200
            46  O1c O    50.6800  -13.0900
            47  O1c O    52.0100  -14.4200
            48  O2c O    50.6800  -17.5000
            49  C5a C    34.4400  -19.7400
            50  O5a O    34.4400  -18.4800
            51  C1b C    33.3200  -20.4400
            52  C1b C    32.2000  -19.7400
            53  C1b C    30.9400  -20.4400
            54  C1b C    29.8200  -19.7400
            55  C1b C    28.7000  -20.4400
            56  C1b C    27.5100  -19.7400
            57  C1b C    26.2500  -20.4400
            58  C1b C    25.0600  -19.7400
            59  C1b C    23.8700  -20.4400
            60  C2b C    22.6800  -19.7400
            61  C2b C    21.3500  -19.7400
            62  C1b C    20.2300  -20.4400
            63  C2b C    19.0400  -19.7400
            64  C2b C    17.7100  -19.7400
            65  C1b C    16.5900  -20.4400
            66  C2b C    15.4700  -19.7400
            67  C2b C    14.2100  -19.7400
            68  C1b C    12.9500  -20.4400
            69  C2b C    11.8300  -19.7400
            70  C2b C    10.5700  -19.7400
            71  C1b C     9.3800  -20.4400
            72  C1b C     8.2600  -19.7400
            73  C1b C     7.0700  -20.4400
            74  C1b C     5.8800  -19.7400
            75  C1a C     4.6900  -20.4400
BOND        77
            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 1
            60   57  58 1
            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
            72   69  70 2
            73   70  71 1
            74   71  72 1
            75   72  73 1
            76   73  74 1
            77   74  75 1

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