KEGG   COMPOUND: C03460Help
Entry
C03460                      Compound                               

Name
2-Methylprop-2-enoyl-CoA;
Methacrylyl-CoA;
Methylacrylyl-CoA
Formula
C25H40N7O17P3S
Exact mass
835.1414
Mol weight
835.6081
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Valine, leucine and isoleucine degradation
Metabolic pathways
Enzyme
1.3.8.1         1.3.8.7         1.3.99.12       1.3.99.-        
4.2.1.17
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        53
            1   C2c C    13.8824  -22.1900
            2   C5a C    15.0949  -21.4900
            3   S2a S    16.3073  -22.1900
            4   C1b C    17.5197  -21.4900
            5   C1b C    18.7322  -22.1900
            6   N1b N    19.9446  -21.4900
            7   C5a C    21.1570  -22.1900
            8   C1b C    22.3695  -21.4900
            9   C1b C    23.5819  -22.1900
            10  N1b N    24.7944  -21.4900
            11  C5a C    26.0068  -22.1900
            12  C1c C    27.2192  -21.4900
            13  C1d C    28.4317  -22.1900
            14  C1b C    29.6441  -21.4900
            15  O2b O    30.8565  -22.1900
            16  O5a O    15.0949  -20.0902
            17  O5a O    21.1570  -23.5899
            18  O5a O    26.0068  -23.5896
            19  O1a O    27.2192  -20.0900
            20  C1a C    28.4317  -20.7900
            21  C1a C    28.4317  -23.5900
            22  P1b P    32.2565  -22.1900
            23  O1c O    33.6565  -22.1900
            24  O1c O    32.2565  -23.5900
            25  C1y C    25.7600  -17.2200
            26  C1y C    27.1600  -17.2200
            27  C1y C    27.5926  -15.8885
            28  O2x O    26.4600  -15.0656
            29  C1y C    25.3274  -15.8885
            30  C1b C    28.9122  -15.4597
            31  O1a O    24.9371  -18.3526
            32  O2b O    27.9829  -18.3526
            33  P1b P    29.3829  -18.3526
            34  O1c O    29.3829  -16.9526
            35  O1c O    30.7829  -18.3526
            36  O1c O    29.3829  -19.7526
            37  C8y C    21.2100  -14.0700
            38  C8y C    21.2100  -15.4700
            39  N4y N    23.6349  -15.4700
            40  C8x C    23.6349  -14.0700
            41  N5x N    22.4224  -13.3700
            42  C8y C    19.9976  -13.3700
            43  N5x N    18.7851  -14.0700
            44  C8x C    18.7851  -15.4700
            45  N5x N    19.9976  -16.1700
            46  N1a N    19.9976  -11.9702
            47  O2b O    30.8945  -15.8920
            48  P1b P    32.2945  -15.8920
            49  O1c O    32.2945  -14.4920
            50  O1c O    33.6945  -15.8920
            51  O2c O    32.2945  -19.1120
            52  C1a C    12.6533  -21.4802
            53  C2a C    13.8823  -23.5898
BOND        55
            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 1
            55    1  53 2

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