KEGG   COMPOUND: C00223
Entry
C00223                      Compound                               
Name
p-Coumaroyl-CoA;
4-Coumaroyl-CoA;
4-Hydroxycinnamoyl-CoA;
trans-4-Coumaroyl-CoA;
(E)-4-Coumaroyl-CoA
Formula
C30H42N7O18P3S
Exact mass
913.1520
Mol weight
913.68
Structure
Reaction
R01613 R01614 R01615 R01616 R01617 R02416 R05163 R06544
R06545 R06568 R06806 R07432 R07436 R07880 R07882 R07883
R07927 R07929 R08767 R08796 R08805 R08807 R08809 R08815
R08983 R09256 R10233 R10234 R10237 R10529 R11200 R12112
R12306 R12488 R12492 R12736
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map00330  Arginine and proline metabolism
map00940  Phenylpropanoid biosynthesis
map00941  Flavonoid biosynthesis
map00945  Stilbenoid, diarylheptanoid and gingerol biosynthesis
map00996  Biosynthesis of various alkaloids
map00999  Biosynthesis of various plant secondary metabolites
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
M00940  Flavanone biosynthesis, p-coumaroyl-CoA => liquiritigenin
Enzyme
1.2.1.44        1.3.1.117       1.14.11.62      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       2.3.1.302       
2.3.1.-         2.8.3.17        4.2.1.175       6.2.1.12
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00223  4-Coumaroyl-CoA
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Paracoumaryl alcohol derivatives
    C00223  p-Coumaroyl-CoA
Other DBs
CAS: 119785-99-8
PubChem: 3523
ChEBI: 15499
LIPIDMAPS: LMFA07050265
KNApSAcK: C00007280
PDB-CCD: WCA[PDBj]
NIKKAJI: J796.717I
LinkDB
KCF data

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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