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 search
Reaction
Pathway
map00360  Phenylalanine metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00350  Capsaicin biosynthesis, L-Phenylalanine => Capsaicin
Enzyme
4.1.2.41        4.2.1.101
Other DBs
PubChem: 9511
ChEBI: 17068
NIKKAJI: J2.765.022H
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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