KEGG   COMPOUND: C02060
Entry
C02060                      Compound                               
Name
Phytanoyl-CoA
Formula
C41H74N7O17P3S
Exact mass
1061.4075
Mol weight
1062.0492
Structure
Reaction
Enzyme
1.14.11.18      6.2.1.24
Other DBs
PubChem: 5149
ChEBI: 15538
NIKKAJI: J2.735.475K
LinkDB
KCF data

ATOM        69
            1   C1b C    36.7500  -35.0700
            2   C5a C    38.0100  -34.3700
            3   S2a S    39.2000  -35.0700
            4   C1b C    40.3900  -34.3700
            5   C1b C    41.6500  -35.0700
            6   N1b N    42.8400  -34.3700
            7   C5a C    44.0300  -35.0700
            8   C1b C    45.2900  -34.3700
            9   C1b C    46.4800  -35.0700
            10  N1b N    47.6700  -34.3700
            11  C5a C    48.9300  -35.0700
            12  C1c C    50.1200  -34.3700
            13  C1d C    51.3100  -35.0700
            14  C1b C    52.5000  -34.3700
            15  O2b O    53.7600  -35.0700
            16  O5a O    38.0100  -32.9700
            17  O5a O    44.0300  -36.4700
            18  O5a O    48.9300  -36.4700
            19  O1a O    50.1200  -32.9700
            20  C1a C    51.3100  -33.6700
            21  C1a C    51.3100  -36.4700
            22  P1b P    55.1600  -35.0700
            23  O1c O    56.5600  -35.0700
            24  O1c O    55.1600  -36.4700
            25  C1y C    48.6500  -30.1000
            26  C1y C    50.0500  -30.1000
            27  C1y C    50.4700  -28.7700
            28  O2x O    49.3500  -27.9300
            29  C1y C    48.2300  -28.7700
            30  C1b C    51.8000  -28.3500
            31  O1a O    47.8100  -31.2200
            32  O2b O    50.8900  -31.2200
            33  P1b P    52.2900  -31.2200
            34  O1c O    52.2900  -29.8200
            35  O1c O    53.6900  -31.2200
            36  O1c O    52.2900  -32.6200
            37  C8y C    44.1000  -26.9500
            38  C8y C    44.1000  -28.3500
            39  N4y N    46.5500  -28.3500
            40  C8x C    46.5500  -26.9500
            41  N5x N    45.2900  -26.2500
            42  C8y C    42.9100  -26.2500
            43  N5x N    41.6500  -26.9500
            44  C8x C    41.6500  -28.3500
            45  N5x N    42.9100  -29.0500
            46  N1a N    42.9100  -24.8500
            47  O2b O    53.7600  -28.7700
            48  P1b P    55.1600  -28.7700
            49  O1c O    55.1600  -27.3700
            50  O1c O    56.5600  -28.7700
            51  O2c O    55.1600  -31.9900
            52  C1c C    35.6300  -34.4400
            53  C1b C    34.5100  -35.0700
            54  C1a C    35.6300  -33.1100
            55  C1b C    33.3900  -34.4400
            56  C1b C    32.2700  -35.0700
            57  C1c C    31.0800  -34.4400
            58  C1b C    29.9600  -35.0700
            59  C1a C    31.0800  -33.1100
            60  C1b C    28.8400  -34.4400
            61  C1b C    27.7200  -35.0700
            62  C1c C    26.6000  -34.4400
            63  C1b C    25.4800  -35.0700
            64  C1a C    26.6000  -33.1100
            65  C1b C    24.2900  -34.4400
            66  C1b C    23.1700  -35.0700
            67  C1c C    22.0500  -34.4400
            68  C1a C    20.9300  -35.0700
            69  C1a C    22.0500  -33.1100
BOND        71
            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   52  54 1 #Down
            57   53  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   57  59 1 #Up
            62   58  60 1
            63   60  61 1
            64   61  62 1
            65   62  63 1
            66   62  64 1 #Up
            67   63  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   67  69 1

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