KEGG   COMPOUND: C22070Help
Entry
C22070                      Compound                               

Name
2,4-Dihydroxycinnamoyl-CoA;
(2E)-3-(2,4-Dihydroxyphenyl)prop-2-enoyl-CoA
Formula
C30H42N7O19P3S
Exact mass
929.1469
Mol weight
929.6763
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 384585129
KCF data Show

ATOM        60
            1   C2b C    11.7600  -20.2300
            2   C5a C    13.0200  -19.5300
            3   S2a S    14.2100  -20.2300
            4   C1b C    15.4000  -19.5300
            5   C1b C    16.6600  -20.2300
            6   N1b N    17.8500  -19.5300
            7   C5a C    19.0400  -20.2300
            8   C1b C    20.3000  -19.5300
            9   C1b C    21.4900  -20.2300
            10  N1b N    22.6800  -19.5300
            11  C5a C    23.9400  -20.2300
            12  C1c C    25.1300  -19.5300
            13  C1d C    26.3200  -20.2300
            14  C1b C    27.5100  -19.5300
            15  O2b O    28.7700  -20.2300
            16  O5a O    13.0200  -18.1300
            17  O5a O    19.0400  -21.6300
            18  O5a O    23.9400  -21.6300
            19  O1a O    25.1300  -18.1300
            20  C1a C    26.3200  -18.8300
            21  C1a C    26.3200  -21.6300
            22  P1b P    30.1700  -20.2300
            23  O1c O    31.5700  -20.2300
            24  O1c O    30.1700  -21.6300
            25  C1y C    23.6600  -15.2600
            26  C1y C    25.0600  -15.2600
            27  C1y C    25.4800  -13.9300
            28  O2x O    24.3600  -13.0900
            29  C1y C    23.2400  -13.9300
            30  C1b C    26.8100  -13.5100
            31  O1a O    22.8200  -16.3800
            32  O2b O    25.9000  -16.3800
            33  P1b P    27.3000  -16.3800
            34  O1c O    27.3000  -14.9800
            35  O1c O    28.7000  -16.3800
            36  O1c O    27.3000  -17.7800
            37  C8y C    19.1100  -12.1100
            38  C8y C    19.1100  -13.5100
            39  N4y N    21.5600  -13.5100
            40  C8x C    21.5600  -12.1100
            41  N5x N    20.3000  -11.4100
            42  C8y C    17.9200  -11.4100
            43  N5x N    16.6600  -12.1100
            44  C8x C    16.6600  -13.5100
            45  N5x N    17.9200  -14.2100
            46  N1a N    17.9200  -10.0100
            47  O2b O    28.7700  -13.9300
            48  P1b P    30.1700  -13.9300
            49  O1c O    30.1700  -12.5300
            50  O1c O    31.5700  -13.9300
            51  O2c O    30.1700  -17.1500
            52  C2b C    10.5700  -19.5300
            53  C8y C     9.3800  -20.2300
            54  C8x C     9.3800  -21.6300
            55  C8x C     8.1200  -22.3300
            56  C8y C     6.9300  -21.6300
            57  C8x C     6.9300  -20.2300
            58  C8y C     8.1200  -19.5300
            59  O1a O     5.7400  -22.3300
            60  O1a O     8.1200  -18.1300
BOND        63
            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 2
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   53  58 1
            62   56  59 1
            63   58  60 1

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