KEGG   COMPOUND: C21967Help
Entry
C21967                      Compound                               

Name
(10Z,13Z,16Z,19Z,22Z)-Octacosapentaenoyl-CoA
Formula
C49H80N7O17P3S
Exact mass
1163.4544
Mol weight
1164.1825
Structure
Mol fileKCF fileDB search
Pathway
map01040  Biosynthesis of unsaturated fatty acids
map01100  Metabolic pathways
map01212  Fatty acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21967  (10Z,13Z,16Z,19Z,22Z)-Octacosapentaenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 376219000
LinkDB All DBs
KCF data Show

ATOM        77
            1   S2a S    38.7100  -20.5800
            2   C1b C    39.8300  -19.9500
            3   C1b C    41.0200  -20.5800
            4   N1b N    42.1400  -19.9500
            5   C5a C    43.2600  -20.5800
            6   C1b C    44.4500  -19.9500
            7   C1b C    45.6400  -20.5800
            8   N1b N    46.7600  -19.9500
            9   C5a C    47.9500  -20.5800
            10  C1c C    49.0700  -19.9500
            11  C1d C    50.1900  -20.5800
            12  C1b C    51.3100  -19.9500
            13  O2b O    52.5700  -20.5800
            14  O5a O    43.2600  -21.9100
            15  O5a O    47.9500  -21.9100
            16  O1a O    49.0700  -18.6200
            17  C1a C    50.1900  -19.2500
            18  C1a C    50.1900  -21.9100
            19  P1b P    53.9000  -20.5800
            20  O1c O    55.2300  -20.5800
            21  O1c O    53.9000  -21.9100
            22  C1y C    47.6700  -15.8900
            23  C1y C    49.0000  -15.8900
            24  C1y C    49.4200  -14.6300
            25  O2x O    48.3700  -13.7900
            26  C1y C    47.2500  -14.6300
            27  C1b C    50.6800  -14.2100
            28  O1a O    46.9000  -16.9400
            29  O2b O    49.7700  -16.9400
            30  P1b P    51.1700  -16.9400
            31  O1c O    51.1700  -15.6100
            32  O1c O    52.5000  -16.9400
            33  O1c O    51.1700  -18.2700
            34  C8y C    43.3300  -12.8800
            35  C8y C    43.3300  -14.2100
            36  N4y N    45.6400  -14.2100
            37  C8x C    45.6400  -12.8800
            38  N5x N    44.4500  -12.1800
            39  C8y C    42.2100  -12.1800
            40  N5x N    41.0200  -12.8800
            41  C8x C    41.0200  -14.2100
            42  N5x N    42.2100  -14.8400
            43  N1a N    42.2100  -10.7800
            44  O2b O    52.5700  -14.6300
            45  P1b P    53.9000  -14.6300
            46  O1c O    53.9000  -13.3000
            47  O1c O    55.2300  -14.6300
            48  O2c O    53.9000  -17.6400
            49  C5a C    37.5200  -19.9500
            50  O5a O    37.5200  -18.7600
            51  C1b C    36.4000  -20.5800
            52  C1b C    35.2800  -19.9500
            53  C1b C    34.0900  -20.6500
            54  C1b C    32.8300  -19.9500
            55  C1b C    31.6400  -20.6500
            56  C1b C    30.3800  -19.9500
            57  C1b C    29.1900  -20.6500
            58  C1b C    28.0000  -19.9500
            59  C2b C    26.8800  -20.5800
            60  C2b C    25.4800  -20.5800
            61  C1b C    24.3600  -19.9500
            62  C2b C    23.1700  -20.5800
            63  C2b C    21.8400  -20.5800
            64  C1b C    20.7200  -19.9500
            65  C2b C    19.5300  -20.5800
            66  C2b C    18.2000  -20.5800
            67  C1b C    17.0100  -19.9500
            68  C2b C    15.8900  -20.5800
            69  C2b C    14.4900  -20.5800
            70  C1b C    13.3000  -19.9500
            71  C2b C    12.1100  -20.5800
            72  C2b C    10.7800  -20.5800
            73  C1b C     9.6600  -19.9500
            74  C1b C     8.5400  -20.5800
            75  C1b C     7.3500  -19.9500
            76  C1b C     6.1600  -20.5800
            77  C1a C     5.0400  -19.9500
BOND        79
            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   59  58 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 2
            69   66  67 1
            70   67  68 1
            71   68  69 2
            72   69  70 1
            73   70  71 1
            74   71  72 2
            75   72  73 1
            76   73  74 1
            77   74  75 1
            78   75  76 1
            79   76  77 1

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