KEGG   COMPOUND: C17741Help
Entry
C17741                      Compound                               

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

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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