KEGG   COMPOUND: C07303Help
Entry
C07303                      Compound                               
Name
4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA;
4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA;
3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
Formula
C31H46N7O20P3S
Exact mass
961.1731
Mol weight
961.7181
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylalanine metabolism
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
4.1.2.41        4.2.1.101
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        62
            1   C1b C    22.2600  -23.0300
            2   C5a C    23.5200  -22.3300
            3   S2a S    24.7100  -23.0300
            4   C1b C    25.9000  -22.3300
            5   C1b C    27.1600  -23.0300
            6   N1b N    28.3500  -22.3300
            7   C5a C    29.5400  -23.0300
            8   C1b C    30.8000  -22.3300
            9   C1b C    31.9900  -23.0300
            10  N1b N    33.1800  -22.3300
            11  C5a C    34.4400  -23.0300
            12  C1c C    35.6300  -22.3300
            13  C1d C    36.8200  -23.0300
            14  C1b C    38.0100  -22.3300
            15  O2b O    39.2700  -23.0300
            16  O5a O    23.5200  -20.9300
            17  O5a O    29.5400  -24.4300
            18  O5a O    34.4400  -24.4300
            19  O1a O    35.6300  -20.9300
            20  C1a C    36.8200  -21.6300
            21  C1a C    36.8200  -24.4300
            22  P1b P    40.6700  -23.0300
            23  O1c O    42.0700  -23.0300
            24  O1c O    40.6700  -24.4300
            25  C1y C    34.1600  -18.0600
            26  C1y C    35.5600  -18.0600
            27  C1y C    35.9800  -16.7300
            28  O2x O    34.8600  -15.8900
            29  C1y C    33.7400  -16.7300
            30  C1b C    37.3100  -16.3100
            31  O1a O    33.3200  -19.1800
            32  O2b O    36.4000  -19.1800
            33  P1b P    37.8000  -19.1800
            34  O1c O    37.8000  -17.7800
            35  O1c O    39.2000  -19.1800
            36  O1c O    37.8000  -20.5800
            37  C8y C    29.6100  -14.9100
            38  C8y C    29.6100  -16.3100
            39  N4y N    32.0600  -16.3100
            40  C8x C    32.0600  -14.9100
            41  N5x N    30.8000  -14.2100
            42  C8y C    28.4200  -14.2100
            43  N5x N    27.1600  -14.9100
            44  C8x C    27.1600  -16.3100
            45  N5x N    28.4200  -17.0100
            46  N1a N    28.4200  -12.8100
            47  O2b O    39.2700  -16.7300
            48  P1b P    40.6700  -16.7300
            49  O1c O    40.6700  -15.3300
            50  O1c O    42.0700  -16.7300
            51  O2c O    40.6700  -19.9500
            52  C1c C    21.0700  -22.3300
            53  C8y C    19.9500  -22.9600
            54  O1a O    21.0700  -21.0000
            55  C8x C    18.8300  -22.3300
            56  C8x C    19.9500  -24.2900
            57  C8y C    17.7100  -22.9600
            58  C8x C    18.8300  -24.9200
            59  C8y C    17.7100  -24.2900
            60  O2a O    16.5900  -22.3300
            61  O1a O    16.5900  -24.9200
            62  C1a C    15.4700  -22.9600
BOND        65
            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   52  53 1
            55   52  54 1
            56   53  55 1
            57   53  56 2
            58   55  57 2
            59   56  58 1
            60   57  59 1
            61   57  60 1
            62   59  61 1
            63   60  62 1
            64   58  59 2
            65   52   1 1

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