KEGG   COMPOUND: C00406Help
Entry
C00406                      Compound                               

Name
Feruloyl-CoA;
trans-Feruloyl-CoA
Formula
C31H44N7O19P3S
Exact mass
943.1626
Mol weight
943.7028
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Cutin, suberine and wax biosynthesis
Arginine and proline metabolism
Phenylalanine metabolism
Phenylpropanoid biosynthesis
Flavonoid biosynthesis
Stilbenoid, diarylheptanoid and gingerol biosynthesis
Biosynthesis of phenylpropanoids
Metabolic pathways
Biosynthesis of secondary metabolites
Module
M00039  
Monolignol biosynthesis, phenylalanine/tyrosine  => monolignol
M00350  
Capsaicin biosynthesis, L-Phenylalanine => Capsaicin
Enzyme
1.2.1.44        2.1.1.104       2.3.1.64        2.3.1.74        
2.3.1.99        2.3.1.110       2.3.1.130       2.3.1.188       
2.3.1.217       2.3.1.218       2.3.1.-         4.2.1.101       
6.2.1.12        6.2.1.34
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Coniferyl alcohol derivatives
    C00406  Feruloyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        61
            1   C2b C    31.3600  -31.5700
            2   C5a C    32.6200  -30.8700
            3   S2a S    33.8100  -31.5700
            4   C1b C    35.0000  -30.8700
            5   C1b C    36.2600  -31.5700
            6   N1b N    37.4500  -30.8700
            7   C5a C    38.6400  -31.5700
            8   C1b C    39.9000  -30.8700
            9   C1b C    41.0900  -31.5700
            10  N1b N    42.2800  -30.8700
            11  C5a C    43.5400  -31.5700
            12  C1c C    44.7300  -30.8700
            13  C1d C    45.9200  -31.5700
            14  C1b C    47.1100  -30.8700
            15  O2b O    48.3700  -31.5700
            16  O5a O    32.6200  -29.4700
            17  O5a O    38.6400  -32.9700
            18  O5a O    43.5400  -32.9700
            19  O1a O    44.7300  -29.4700
            20  C1a C    45.9200  -30.1700
            21  C1a C    45.9200  -32.9700
            22  P1b P    49.7700  -31.5700
            23  O1c O    51.1700  -31.5700
            24  O1c O    49.7700  -32.9700
            25  C1y C    43.2600  -26.6000
            26  C1y C    44.6600  -26.6000
            27  C1y C    45.0800  -25.2700
            28  O2x O    43.9600  -24.4300
            29  C1y C    42.8400  -25.2700
            30  C1b C    46.4100  -24.8500
            31  O1a O    42.4200  -27.7200
            32  O2b O    45.5000  -27.7200
            33  P1b P    46.9000  -27.7200
            34  O1c O    46.9000  -26.3200
            35  O1c O    48.3000  -27.7200
            36  O1c O    46.9000  -29.1200
            37  C8y C    38.7100  -23.4500
            38  C8y C    38.7100  -24.8500
            39  N4y N    41.1600  -24.8500
            40  C8x C    41.1600  -23.4500
            41  N5x N    39.9000  -22.7500
            42  C8y C    37.5200  -22.7500
            43  N5x N    36.2600  -23.4500
            44  C8x C    36.2600  -24.8500
            45  N5x N    37.5200  -25.5500
            46  N1a N    37.5200  -21.3500
            47  O2b O    48.3700  -25.2700
            48  P1b P    49.7700  -25.2700
            49  O1c O    49.7700  -23.8700
            50  O1c O    51.1700  -25.2700
            51  O2c O    49.7700  -28.4900
            52  C2b C    30.1593  -30.8501
            53  C8y C    28.9354  -31.5300
            54  C8x C    27.7026  -30.7913
            55  C8y C    26.4790  -31.4715
            56  C8y C    26.4562  -32.8713
            57  C8x C    27.6889  -33.6101
            58  C8x C    28.9126  -32.9299
            59  O2a O    25.2770  -30.7513
            60  O1a O    25.2234  -33.5564
            61  C1a C    25.2770  -29.3513
BOND        64
            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   55  59 1
            63   56  60 1
            64   59  61 1

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