KEGG   COMPOUND: C21459Help
Entry
C21459                      Compound                               

Name
6-Hydroxyferuloyl-CoA
Formula
C31H44N7O20P3S
Exact mass
959.1575
Mol weight
959.7022
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 329728082
LinkDB All DBs
KCF data Show

ATOM        62
            1   C2b C    11.8300  -20.3000
            2   C5a C    13.0900  -19.6000
            3   S2a S    14.2800  -20.3000
            4   C1b C    15.4700  -19.6000
            5   C1b C    16.7300  -20.3000
            6   N1b N    17.9200  -19.6000
            7   C5a C    19.1100  -20.3000
            8   C1b C    20.3700  -19.6000
            9   C1b C    21.5600  -20.3000
            10  N1b N    22.7500  -19.6000
            11  C5a C    24.0100  -20.3000
            12  C1c C    25.2000  -19.6000
            13  C1d C    26.3900  -20.3000
            14  C1b C    27.5800  -19.6000
            15  O2b O    28.8400  -20.3000
            16  O5a O    13.0900  -18.2000
            17  O5a O    19.1100  -21.7000
            18  O5a O    24.0100  -21.7000
            19  O1a O    25.2000  -18.2000
            20  C1a C    26.3900  -18.9000
            21  C1a C    26.3900  -21.7000
            22  P1b P    30.2400  -20.3000
            23  O1c O    31.6400  -20.3000
            24  O1c O    30.2400  -21.7000
            25  C1y C    23.7300  -15.3300
            26  C1y C    25.1300  -15.3300
            27  C1y C    25.5500  -14.0000
            28  O2x O    24.4300  -13.1600
            29  C1y C    23.3100  -14.0000
            30  C1b C    26.8800  -13.5800
            31  O1a O    22.8900  -16.4500
            32  O2b O    25.9700  -16.4500
            33  P1b P    27.3700  -16.4500
            34  O1c O    27.3700  -15.0500
            35  O1c O    28.7700  -16.4500
            36  O1c O    27.3700  -17.8500
            37  C8y C    19.1800  -12.1800
            38  C8y C    19.1800  -13.5800
            39  N4y N    21.6300  -13.5800
            40  C8x C    21.6300  -12.1800
            41  N5x N    20.3700  -11.4800
            42  C8y C    17.9900  -11.4800
            43  N5x N    16.7300  -12.1800
            44  C8x C    16.7300  -13.5800
            45  N5x N    17.9900  -14.2800
            46  N1a N    17.9900  -10.0800
            47  O2b O    28.8400  -14.0000
            48  P1b P    30.2400  -14.0000
            49  O1c O    30.2400  -12.6000
            50  O1c O    31.6400  -14.0000
            51  O2c O    30.2400  -17.2200
            52  C2b C    10.6293  -19.5801
            53  C8y C     9.4054  -20.2600
            54  C8x C     8.1726  -19.5213
            55  C8y C     6.9490  -20.2015
            56  C8y C     6.9262  -21.6013
            57  C8x C     8.1589  -22.3401
            58  C8y C     9.3826  -21.6599
            59  O2a O     5.7470  -19.4813
            60  O1a O     5.6934  -22.2864
            61  C1a C     5.7470  -18.0813
            62  O1a O    10.5684  -22.3701
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    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
            65   58  62 1

» Japanese version

DBGET integrated database retrieval system