KEGG   COMPOUND: C21965Help
Entry
C21965                      Compound                               

Name
(8Z,11Z,14Z,17Z,20Z)-Hexacosapentaenoyl-CoA
Formula
C47H76N7O17P3S
Exact mass
1135.4231
Mol weight
1136.1293
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
    C21965  (8Z,11Z,14Z,17Z,20Z)-Hexacosapentaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376218998
LinkDB All DBs
KCF data Show

ATOM        75
            1   S2a S    33.8800  -20.1600
            2   C1b C    35.0000  -19.5300
            3   C1b C    36.1900  -20.1600
            4   N1b N    37.3100  -19.5300
            5   C5a C    38.4300  -20.1600
            6   C1b C    39.6200  -19.5300
            7   C1b C    40.8100  -20.1600
            8   N1b N    41.9300  -19.5300
            9   C5a C    43.1200  -20.1600
            10  C1c C    44.2400  -19.5300
            11  C1d C    45.3600  -20.1600
            12  C1b C    46.4800  -19.5300
            13  O2b O    47.7400  -20.1600
            14  O5a O    38.4300  -21.4900
            15  O5a O    43.1200  -21.4900
            16  O1a O    44.2400  -18.2000
            17  C1a C    45.3600  -18.8300
            18  C1a C    45.3600  -21.4900
            19  P1b P    49.0700  -20.1600
            20  O1c O    50.4000  -20.1600
            21  O1c O    49.0700  -21.4900
            22  C1y C    42.8400  -15.4700
            23  C1y C    44.1700  -15.4700
            24  C1y C    44.5900  -14.2100
            25  O2x O    43.5400  -13.3700
            26  C1y C    42.4200  -14.2100
            27  C1b C    45.8500  -13.7900
            28  O1a O    42.0700  -16.5200
            29  O2b O    44.9400  -16.5200
            30  P1b P    46.3400  -16.5200
            31  O1c O    46.3400  -15.1900
            32  O1c O    47.6700  -16.5200
            33  O1c O    46.3400  -17.8500
            34  C8y C    38.5000  -12.4600
            35  C8y C    38.5000  -13.7900
            36  N4y N    40.8100  -13.7900
            37  C8x C    40.8100  -12.4600
            38  N5x N    39.6200  -11.7600
            39  C8y C    37.3800  -11.7600
            40  N5x N    36.1900  -12.4600
            41  C8x C    36.1900  -13.7900
            42  N5x N    37.3800  -14.4200
            43  N1a N    37.3800  -10.4300
            44  O2b O    47.7400  -14.2100
            45  P1b P    49.0700  -14.2100
            46  O1c O    49.0700  -12.8800
            47  O1c O    50.4000  -14.2100
            48  O2c O    49.0700  -17.2200
            49  C5a C    32.7600  -19.5300
            50  O5a O    32.7600  -18.3400
            51  C1b C    31.6400  -20.1600
            52  C1b C    30.5200  -19.5300
            53  C1b C    29.3300  -20.2300
            54  C1b C    28.0700  -19.5300
            55  C1b C    26.8800  -20.2300
            56  C1b C    25.6900  -19.5300
            57  C2b C    24.5700  -20.1600
            58  C2b C    23.1700  -20.1600
            59  C1b C    22.0500  -19.5300
            60  C2b C    20.8600  -20.1600
            61  C2b C    19.5300  -20.1600
            62  C1b C    18.4100  -19.5300
            63  C2b C    17.2200  -20.1600
            64  C2b C    15.8900  -20.1600
            65  C1b C    14.7000  -19.5300
            66  C2b C    13.5800  -20.1600
            67  C2b C    12.1800  -20.1600
            68  C1b C    11.0600  -19.5300
            69  C2b C     9.8700  -20.1600
            70  C2b C     8.5400  -20.1600
            71  C1b C     7.4200  -19.5300
            72  C1b C     6.3000  -20.1600
            73  C1b C     5.1100  -19.5300
            74  C1b C     3.9200  -20.1600
            75  C1a C     2.8000  -19.5300
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   57  56 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
            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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