KEGG   COMPOUND: C17740Help
Entry
C17740                      Compound                               

Name
p-Coumaroyl-diketide-CoA;
(4-Coumaroyl)acetyl-CoA
Formula
C32H44N7O19P3S
Exact mass
955.1626
Mol weight
955.7135
Structure
Mol fileKCF fileDB search
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 Show

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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