KEGG   COMPOUND: C12146
Entry
C12146                      Compound                               
Name
C26-CoA
Formula
C22H35N7O17P3SR
Structure
Comment
Generic compound in reaction hierarchy
R = C25H51 (Hexacosanoyl-CoA) or its derivatives
Reaction
Enzyme
Other DBs
PubChem: 14293
ChEBI: 31330
KCF data

ATOM        51
            1   S2a S    12.5300  -21.0000
            2   C1b C    13.7200  -20.3000
            3   C1b C    14.9800  -21.0000
            4   N1b N    16.1700  -20.3000
            5   C5a C    17.3600  -21.0000
            6   C1b C    18.6200  -20.3000
            7   C1b C    19.8100  -21.0000
            8   N1b N    21.0000  -20.3000
            9   C5a C    22.2600  -21.0000
            10  C1c C    23.4500  -20.3000
            11  C1d C    24.6400  -21.0000
            12  C1b C    25.8300  -20.3000
            13  O2b O    27.0900  -21.0000
            14  O5a O    17.3600  -22.4000
            15  O5a O    22.2600  -22.4000
            16  O1a O    23.4500  -18.9000
            17  C1a C    24.6400  -19.6000
            18  C1a C    24.6400  -22.4000
            19  P1b P    28.4900  -21.0000
            20  O1c O    29.8900  -21.0000
            21  O1c O    28.4900  -22.4000
            22  C1y C    21.9800  -16.0300
            23  C1y C    23.3800  -16.0300
            24  C1y C    23.8000  -14.7000
            25  O2x O    22.6800  -13.8600
            26  C1y C    21.5600  -14.7000
            27  C1b C    25.1300  -14.2800
            28  O1a O    21.1400  -17.1500
            29  O2b O    24.2200  -17.1500
            30  P1b P    25.6200  -17.1500
            31  O1c O    25.6200  -15.7500
            32  O1c O    27.0200  -17.1500
            33  O1c O    25.6200  -18.5500
            34  C8y C    17.4300  -12.8800
            35  C8y C    17.4300  -14.2800
            36  N4y N    19.8800  -14.2800
            37  C8x C    19.8800  -12.8800
            38  N5x N    18.6200  -12.1800
            39  C8y C    16.2400  -12.1800
            40  N5x N    14.9800  -12.8800
            41  C8x C    14.9800  -14.2800
            42  N5x N    16.2400  -14.9800
            43  N1a N    16.2400  -10.7800
            44  O2b O    27.0900  -14.7000
            45  P1b P    28.4900  -14.7000
            46  O1c O    28.4900  -13.3000
            47  O1c O    29.8900  -14.7000
            48  O2c O    28.4900  -17.9200
            49  C5a C    11.4100  -20.3700
            50  O5a O    11.4100  -19.0400
            51  R   R    10.2900  -21.0000
BOND        53
            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

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