KEGG   COMPOUND: C12203Help
Entry
C12203                      Compound                               

Name
5-Hydroxyferuloyl-CoA
Formula
C31H44N7O20P3S
Exact mass
959.1575
Mol weight
959.7022
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Biosynthesis of phenylpropanoids
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.2.1.44        2.1.1.104       6.2.1.12
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Coniferyl alcohol derivatives
    C12203  5-Hydroxyferuloyl-CoA
BRITE hierarchy
Other DBs
CAS: 
59862-14-5
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        62
            1   C2b C    11.8300  -19.8800
            2   C8y C    10.7100  -20.5800
            3   C8x C     9.5900  -19.8800
            4   C8x C    10.7100  -21.8400
            5   C8y C     8.4700  -20.5800
            6   C8y C     9.5900  -22.5400
            7   C8y C     8.4700  -21.8400
            8   O2a O     7.3500  -19.8800
            9   O1a O     7.2800  -22.4700
            10  O1a O     9.5900  -23.8000
            11  C1a C     7.3500  -18.4800
            12  S2a S    15.1900  -20.5800
            13  C1b C    16.3800  -19.8800
            14  C1b C    17.6400  -20.5800
            15  N1b N    18.8300  -19.8800
            16  C5a C    20.0200  -20.5800
            17  C1b C    21.2800  -19.8800
            18  C1b C    22.4700  -20.5800
            19  N1b N    23.6600  -19.8800
            20  C5a C    24.9200  -20.5800
            21  C1c C    26.1100  -19.8800
            22  C1d C    27.3000  -20.5800
            23  C1b C    28.4900  -19.8800
            24  O2b O    29.7500  -20.5800
            25  O5a O    20.0200  -21.9800
            26  O5a O    24.9200  -21.9800
            27  O1a O    26.1100  -18.4800
            28  C1a C    27.3000  -19.1800
            29  C1a C    27.3000  -21.9800
            30  P1b P    31.1500  -20.5800
            31  O1c O    32.5500  -20.5800
            32  O1c O    31.1500  -21.9800
            33  C1y C    24.6400  -15.6100
            34  C1y C    26.0400  -15.6100
            35  C1y C    26.4600  -14.2800
            36  O2x O    25.3400  -13.4400
            37  C1y C    24.2200  -14.2800
            38  C1b C    27.7900  -13.8600
            39  O1a O    23.8000  -16.7300
            40  O2b O    26.8800  -16.7300
            41  P1b P    28.2800  -16.7300
            42  O1c O    28.2800  -15.3300
            43  O1c O    29.6800  -16.7300
            44  O1c O    28.2800  -18.1300
            45  C8y C    20.0900  -12.4600
            46  C8y C    20.0900  -13.8600
            47  N4y N    22.5400  -13.8600
            48  C8x C    22.5400  -12.4600
            49  N5x N    21.2800  -11.7600
            50  C8y C    18.9000  -11.7600
            51  N5x N    17.6400  -12.4600
            52  C8x C    17.6400  -13.8600
            53  N5x N    18.9000  -14.5600
            54  N1a N    18.9000  -10.3600
            55  O2b O    29.7500  -14.2800
            56  P1b P    31.1500  -14.2800
            57  O1c O    31.1500  -12.8800
            58  O1c O    32.5500  -14.2800
            59  O2c O    31.1500  -17.5000
            60  C5a C    14.0700  -19.8800
            61  C2b C    12.9500  -20.5800
            62  O5a O    14.0700  -18.6200
BOND        65
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   7 2
            7     5   8 1
            8     7   9 1
            9     6   7 1
            10    6  10 1
            11    8  11 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   16  25 2
            25   20  26 2
            26   21  27 1 #Down
            27   22  28 1
            28   22  29 1
            29   24  30 1
            30   30  31 2
            31   30  32 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   33  37 1
            37   35  38 1 #Down
            38   33  39 1 #Up
            39   34  40 1 #Up
            40   40  41 1
            41   41  42 1
            42   41  43 1
            43   41  44 2
            44   45  46 2
            45   46  47 1
            46   47  48 1
            47   48  49 2
            48   45  49 1
            49   45  50 1
            50   50  51 2
            51   51  52 1
            52   52  53 2
            53   46  53 1
            54   50  54 1
            55   37  47 1 #Down
            56   38  55 1
            57   55  56 1
            58   56  57 1
            59   56  58 2
            60   56  59 1
            61   30  59 1
            62   12  60 1
            63   60  61 1
            64   60  62 2
            65    1  61 2

» Japanese version

DBGET integrated database retrieval system