KEGG   COMPOUND: C04013
Entry
C04013                      Compound                               
Name
Multi-methyl-branched acyl-CoA
Formula
C22H35N7O17P3SR(C3H6)n
Structure
Other DBs
PubChem: 6720
ChEBI: 18100
KCF data

ATOM        54
            1   C1c C    24.3124  -21.6300
            2   C5a C    26.0149  -20.9300
            3   S2a S    27.2273  -21.6300
            4   C1b C    28.4397  -20.9300
            5   C1b C    29.6522  -21.6300
            6   N1b N    30.8646  -20.9300
            7   C5a C    32.0770  -21.6300
            8   C1b C    33.2895  -20.9300
            9   C1b C    34.5019  -21.6300
            10  N1b N    35.7144  -20.9300
            11  C5a C    36.9268  -21.6300
            12  C1c C    38.1392  -20.9300
            13  C1d C    39.3517  -21.6300
            14  C1b C    40.5641  -20.9300
            15  O2b O    41.7765  -21.6300
            16  O5a O    26.0149  -19.5302
            17  O5a O    32.0770  -23.0299
            18  O5a O    36.9268  -23.0296
            19  O1a O    38.1392  -19.5300
            20  C1a C    39.3517  -20.2300
            21  C1a C    39.3517  -23.0300
            22  P1b P    43.1765  -21.6300
            23  O1c O    44.5765  -21.6300
            24  O1c O    43.1765  -23.0300
            25  C1y C    36.6800  -16.6600
            26  C1y C    38.0800  -16.6600
            27  C1y C    38.5126  -15.3285
            28  O2x O    37.3800  -14.5056
            29  C1y C    36.2474  -15.3285
            30  C1b C    39.8322  -14.8997
            31  O1a O    35.8571  -17.7926
            32  O2b O    38.9029  -17.7926
            33  P1b P    40.3029  -17.7926
            34  O1c O    40.3029  -16.3926
            35  O1c O    41.7029  -17.7926
            36  O1c O    40.3029  -19.1926
            37  C8y C    32.1300  -13.5100
            38  C8y C    32.1300  -14.9100
            39  N4y N    34.5549  -14.9100
            40  C8x C    34.5549  -13.5100
            41  N5x N    33.3424  -12.8100
            42  C8y C    30.9176  -12.8100
            43  N5x N    29.7051  -13.5100
            44  C8x C    29.7051  -14.9100
            45  N5x N    30.9176  -15.6100
            46  N1a N    30.9176  -11.4102
            47  O2b O    41.8145  -15.3320
            48  P1b P    43.2145  -15.3320
            49  O1c O    43.2145  -13.9320
            50  O1c O    44.6145  -15.3320
            51  O2c O    43.2145  -18.5520
            52  C1b C    23.0776  -20.9300
            53  R   R    21.3751  -21.6300
            54  C1a C    24.3179  -23.0297
BOND        56
            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   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56    1  54 1
BRACKET     1    22.6800  -23.7300   22.6800  -19.7400
            1    24.9900  -19.7400   24.9900  -23.7300
            1  n
 ORIGINAL  1    1  52  54
 REPEAT    1

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