KEGG   COMPOUND: C17741
Entry
C17741                      Compound                               

Name
Feruloyl-diketide-CoA;
Feruloylacetyl-CoA
Formula
C33H46N7O20P3S
Exact mass
985.1731
Mol weight
985.7395
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: 96024068
ChEBI: 71236
KCF data

ATOM        64
            1   C1b C    14.3500  -20.7200
            2   C5a C    13.1600  -20.0900
            3   C2b C    11.9700  -20.7900
            4   O5a O    13.1600  -18.6200
            5   C2b C    10.7100  -20.1600
            6   C8y C     9.5900  -20.9300
            7   C8x C     9.5900  -22.2600
            8   C8x C     8.4000  -22.9600
            9   C8y C     7.1400  -22.2600
            10  C8y C     7.1400  -20.9300
            11  C8x C     8.4000  -20.2300
            12  O2a O     5.9500  -20.2300
            13  C1a C     4.7600  -20.8600
            14  O1a O     5.9500  -22.9600
            15  C5a C    15.6100  -20.0200
            16  S2a S    16.8000  -20.7200
            17  C1b C    17.9900  -20.0200
            18  C1b C    19.2500  -20.7200
            19  N1b N    20.4400  -20.0200
            20  C5a C    21.6300  -20.7200
            21  C1b C    22.8900  -20.0200
            22  C1b C    24.0800  -20.7200
            23  N1b N    25.2700  -20.0200
            24  C5a C    26.5300  -20.7200
            25  C1c C    27.7200  -20.0200
            26  C1d C    28.9100  -20.7200
            27  C1b C    30.1000  -20.0200
            28  O2b O    31.3600  -20.7200
            29  O5a O    15.6100  -18.6200
            30  O5a O    21.6300  -22.1200
            31  O5a O    26.5300  -22.1200
            32  O1a O    27.7200  -18.6200
            33  C1a C    28.9100  -19.3200
            34  C1a C    28.9100  -22.1200
            35  P1b P    32.7600  -20.7200
            36  O1c O    34.1600  -20.7200
            37  O1c O    32.7600  -22.1200
            38  C1y C    26.2500  -15.7500
            39  C1y C    27.6500  -15.7500
            40  C1y C    28.0700  -14.4200
            41  O2x O    26.9500  -13.5800
            42  C1y C    25.8300  -14.4200
            43  C1b C    29.4000  -14.0000
            44  O1a O    25.4100  -16.8700
            45  O2b O    28.4900  -16.8700
            46  P1b P    29.8900  -16.8700
            47  O1c O    29.8900  -15.4700
            48  O1c O    31.2900  -16.8700
            49  O1c O    29.8900  -18.2700
            50  C8y C    21.7000  -12.6000
            51  C8y C    21.7000  -14.0000
            52  N4y N    24.1500  -14.0000
            53  C8x C    24.1500  -12.6000
            54  N5x N    22.8900  -11.9000
            55  C8y C    20.5100  -11.9000
            56  N5x N    19.2500  -12.6000
            57  C8x C    19.2500  -14.0000
            58  N5x N    20.5100  -14.7000
            59  N1a N    20.5100  -10.5000
            60  O2b O    31.3600  -14.4200
            61  P1b P    32.7600  -14.4200
            62  O1c O    32.7600  -13.0200
            63  O1c O    34.1600  -14.4200
            64  O2c O    32.7600  -17.6400
BOND        67
            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   10  12 1
            13   12  13 1
            14    9  14 1
            15    1  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   26  27 1
            28   27  28 1
            29   15  29 2
            30   20  30 2
            31   24  31 2
            32   25  32 1 #Down
            33   26  33 1
            34   26  34 1
            35   28  35 1
            36   35  36 2
            37   35  37 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   38  42 1
            43   40  43 1 #Down
            44   38  44 1 #Up
            45   39  45 1 #Up
            46   45  46 1
            47   46  47 1
            48   46  48 1
            49   46  49 2
            50   50  51 2
            51   51  52 1
            52   52  53 1
            53   53  54 2
            54   50  54 1
            55   50  55 1
            56   55  56 2
            57   56  57 1
            58   57  58 2
            59   51  58 1
            60   55  59 1
            61   42  52 1 #Down
            62   43  60 1
            63   60  61 1
            64   61  62 1
            65   61  63 2
            66   61  64 1
            67   35  64 1

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