KEGG   COMPOUND: C17740
Entry
C17740                      Compound                               

Name
p-Coumaroyl-diketide-CoA;
(4-Coumaroyl)acetyl-CoA
Formula
C32H44N7O19P3S
Exact mass
955.1626
Mol weight
955.7135
Structure
Reaction
Pathway
map00945  Stilbenoid, diarylheptanoid and gingerol biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.217       2.3.1.218       2.3.1.219
Other DBs
PubChem: 96024067
ChEBI: 71215
KCF data

ATOM        62
            1   C1b C    13.6500  -20.7900
            2   C5a C    12.4600  -20.0900
            3   C2b C    11.2700  -20.7900
            4   O5a O    12.4600  -18.6900
            5   C2b C    10.0800  -20.0900
            6   C8y C     8.8900  -20.7900
            7   C8x C     8.8900  -22.1900
            8   C8x C     7.6300  -22.8900
            9   C8y C     6.4400  -22.1900
            10  C8x C     6.4400  -20.7900
            11  C8x C     7.6300  -20.0900
            12  O1a O     5.2500  -22.8900
            13  C5a C    14.9100  -20.0900
            14  S2a S    16.1000  -20.7900
            15  C1b C    17.2900  -20.0900
            16  C1b C    18.5500  -20.7900
            17  N1b N    19.7400  -20.0900
            18  C5a C    20.9300  -20.7900
            19  C1b C    22.1900  -20.0900
            20  C1b C    23.3800  -20.7900
            21  N1b N    24.5700  -20.0900
            22  C5a C    25.8300  -20.7900
            23  C1c C    27.0200  -20.0900
            24  C1d C    28.2100  -20.7900
            25  C1b C    29.4000  -20.0900
            26  O2b O    30.6600  -20.7900
            27  O5a O    14.9100  -18.6900
            28  O5a O    20.9300  -22.1900
            29  O5a O    25.8300  -22.1900
            30  O1a O    27.0200  -18.6900
            31  C1a C    28.2100  -19.3900
            32  C1a C    28.2100  -22.1900
            33  P1b P    32.0600  -20.7900
            34  O1c O    33.4600  -20.7900
            35  O1c O    32.0600  -22.1900
            36  C1y C    25.5500  -15.8200
            37  C1y C    26.9500  -15.8200
            38  C1y C    27.3700  -14.4900
            39  O2x O    26.2500  -13.6500
            40  C1y C    25.1300  -14.4900
            41  C1b C    28.7000  -14.0700
            42  O1a O    24.7100  -16.9400
            43  O2b O    27.7900  -16.9400
            44  P1b P    29.1900  -16.9400
            45  O1c O    29.1900  -15.5400
            46  O1c O    30.5900  -16.9400
            47  O1c O    29.1900  -18.3400
            48  C8y C    21.0000  -12.6700
            49  C8y C    21.0000  -14.0700
            50  N4y N    23.4500  -14.0700
            51  C8x C    23.4500  -12.6700
            52  N5x N    22.1900  -11.9700
            53  C8y C    19.8100  -11.9700
            54  N5x N    18.5500  -12.6700
            55  C8x C    18.5500  -14.0700
            56  N5x N    19.8100  -14.7700
            57  N1a N    19.8100  -10.5700
            58  O2b O    30.6600  -14.4900
            59  P1b P    32.0600  -14.4900
            60  O1c O    32.0600  -13.0900
            61  O1c O    33.4600  -14.4900
            62  O2c O    32.0600  -17.7100
BOND        65
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12    9  12 1
            13    1  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   13  27 2
            28   18  28 2
            29   22  29 2
            30   23  30 1 #Down
            31   24  31 1
            32   24  32 1
            33   26  33 1
            34   33  34 2
            35   33  35 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   36  40 1
            41   38  41 1 #Down
            42   36  42 1 #Up
            43   37  43 1 #Up
            44   43  44 1
            45   44  45 1
            46   44  46 1
            47   44  47 2
            48   48  49 2
            49   49  50 1
            50   50  51 1
            51   51  52 2
            52   48  52 1
            53   48  53 1
            54   53  54 2
            55   54  55 1
            56   55  56 2
            57   49  56 1
            58   53  57 1
            59   40  50 1 #Down
            60   41  58 1
            61   58  59 1
            62   59  60 1
            63   59  61 2
            64   59  62 1
            65   33  62 1

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