KEGG   COMPOUND: C00223Help
Entry
C00223                      Compound                               

Name
p-Coumaroyl-CoA;
4-Coumaroyl-CoA;
4-Hydroxycinnamoyl-CoA;
trans-4-Coumaroyl-CoA
Formula
C30H42N7O18P3S
Exact mass
913.152
Mol weight
913.6769
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map00330  Arginine and proline metabolism
map00360  Phenylalanine metabolism
map00940  Phenylpropanoid biosynthesis
map00941  Flavonoid biosynthesis
map00945  Stilbenoid, diarylheptanoid and gingerol biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01220  Degradation of aromatic compounds
Module
M00039  Monolignol biosynthesis, phenylalanine/tyrosine => monolignol
M00137  Flavanone biosynthesis, phenylalanine => naringenin
M00350  Capsaicin biosynthesis, L-Phenylalanine => Capsaicin
Enzyme
1.2.1.44        1.3.1.117       1.14.13.-       1.14.14.91      
2.3.1.64        2.3.1.74        2.3.1.95        2.3.1.133       
2.3.1.153       2.3.1.170       2.3.1.173       2.3.1.211       
2.3.1.212       2.3.1.215       2.3.1.218       2.3.1.219       
2.3.1.229       2.3.1.249       2.3.1.-         6.2.1.12
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Paracoumaryl alcohol derivatives
    C00223  p-Coumaroyl-CoA
BRITE hierarchy
Other DBs
CAS: 119785-99-8
PubChem: 3523
ChEBI: 15499
ChEMBL: CHEMBL250086
KNApSAcK: C00007280
PDB-CCD: WCA[PDBj]
3DMET: B04651
NIKKAJI: J796.717I
LinkDB All DBs
KCF data Show

ATOM        59
            1   C2b C    13.0900  -16.5900
            2   C5a C    14.3500  -15.8900
            3   S2a S    15.5400  -16.5900
            4   C1b C    16.7300  -15.8900
            5   C1b C    17.9900  -16.5900
            6   N1b N    19.1800  -15.8900
            7   C5a C    20.3700  -16.5900
            8   C1b C    21.6300  -15.8900
            9   C1b C    22.8200  -16.5900
            10  N1b N    24.0100  -15.8900
            11  C5a C    25.2700  -16.5900
            12  C1c C    26.4600  -15.8900
            13  C1d C    27.6500  -16.5900
            14  C1b C    28.8400  -15.8900
            15  O2b O    30.1000  -16.5900
            16  O5a O    14.3500  -14.4900
            17  O5a O    20.3700  -17.9900
            18  O5a O    25.2700  -17.9900
            19  O1a O    26.4600  -14.4900
            20  C1a C    27.6500  -15.1900
            21  C1a C    27.6500  -17.9900
            22  P1b P    31.5000  -16.5900
            23  O1c O    32.9000  -16.5900
            24  O1c O    31.5000  -17.9900
            25  C1y C    24.9900  -11.6200
            26  C1y C    26.3900  -11.6200
            27  C1y C    26.8100  -10.2900
            28  O2x O    25.6900   -9.4500
            29  C1y C    24.5700  -10.2900
            30  C1b C    28.1400   -9.8700
            31  O1a O    24.1500  -12.7400
            32  O2b O    27.2300  -12.7400
            33  P1b P    28.6300  -12.7400
            34  O1c O    28.6300  -11.3400
            35  O1c O    30.0300  -12.7400
            36  O1c O    28.6300  -14.1400
            37  C8y C    20.4400   -8.4700
            38  C8y C    20.4400   -9.8700
            39  N4y N    22.8900   -9.8700
            40  C8x C    22.8900   -8.4700
            41  N5x N    21.6300   -7.7700
            42  C8y C    19.2500   -7.7700
            43  N5x N    17.9900   -8.4700
            44  C8x C    17.9900   -9.8700
            45  N5x N    19.2500  -10.5700
            46  N1a N    19.2500   -6.3700
            47  O2b O    30.1000  -10.2900
            48  P1b P    31.5000  -10.2900
            49  O1c O    31.5000   -8.8900
            50  O1c O    32.9000  -10.2900
            51  O2c O    31.5000  -13.5100
            52  C2b C    11.9000  -15.8900
            53  C8y C    10.7100  -16.5900
            54  C8x C    10.7100  -17.9900
            55  C8x C     9.4500  -18.6900
            56  C8y C     8.2600  -17.9900
            57  C8x C     8.2600  -16.5900
            58  C8x C     9.4500  -15.8900
            59  O1a O     7.0700  -18.6900
BOND        62
            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   56  59 1

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