KEGG   COMPOUND: C00894Help
Entry
C00894                      Compound                               

Name
Propenoyl-CoA;
Acryloyl-CoA;
Acrylyl-CoA
Formula
C24H38N7O17P3S
Exact mass
821.1258
Mol weight
821.5815
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
beta-Alanine metabolism
Propanoate metabolism
Styrene degradation
Carbon fixation pathways in prokaryotes
Metabolic pathways
Microbial metabolism in diverse environments
Carbon metabolism
Module
M00013  
Malonate semialdehyde pathway, propanoyl-CoA => acetyl-CoA
M00375  
Hydroxypropionate-hydroxybutylate cycle
M00376  
3-Hydroxypropionate bi-cycle
Enzyme
1.3.1.84        1.3.1.95        1.3.1.-         1.3.8.7         
2.8.3.12        4.2.1.17        4.2.1.54        4.2.1.116       
4.3.1.6
Other DBs
CAS: 
5776-58-9
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        52
            1   C2b C    29.0724  -28.2800
            2   C5a C    30.2849  -27.5800
            3   S2a S    31.4973  -28.2800
            4   C1b C    32.7097  -27.5800
            5   C1b C    33.9222  -28.2800
            6   N1b N    35.1346  -27.5800
            7   C5a C    36.3470  -28.2800
            8   C1b C    37.5595  -27.5800
            9   C1b C    38.7719  -28.2800
            10  N1b N    39.9844  -27.5800
            11  C5a C    41.1968  -28.2800
            12  C1c C    42.4092  -27.5800
            13  C1d C    43.6217  -28.2800
            14  C1b C    44.8341  -27.5800
            15  O2b O    46.0465  -28.2800
            16  O5a O    30.2849  -26.1802
            17  O5a O    36.3470  -29.6799
            18  O5a O    41.1968  -29.6796
            19  O1a O    42.4092  -26.1800
            20  C1a C    43.6217  -26.8800
            21  C1a C    43.6217  -29.6800
            22  P1b P    47.4465  -28.2800
            23  O1c O    48.8465  -28.2800
            24  O1c O    47.4465  -29.6800
            25  C1y C    40.9500  -23.3100
            26  C1y C    42.3500  -23.3100
            27  C1y C    42.7826  -21.9785
            28  O2x O    41.6500  -21.1556
            29  C1y C    40.5174  -21.9785
            30  C1b C    44.1022  -21.5497
            31  O1a O    40.1271  -24.4426
            32  O2b O    43.1729  -24.4426
            33  P1b P    44.5729  -24.4426
            34  O1c O    44.5729  -23.0426
            35  O1c O    45.9729  -24.4426
            36  O1c O    44.5729  -25.8426
            37  C8y C    36.4000  -20.1600
            38  C8y C    36.4000  -21.5600
            39  N4y N    38.8249  -21.5600
            40  C8x C    38.8249  -20.1600
            41  N5x N    37.6124  -19.4600
            42  C8y C    35.1876  -19.4600
            43  N5x N    33.9751  -20.1600
            44  C8x C    33.9751  -21.5600
            45  N5x N    35.1876  -22.2600
            46  N1a N    35.1876  -18.0602
            47  O2b O    46.0845  -21.9820
            48  P1b P    47.4845  -21.9820
            49  O1c O    47.4845  -20.5820
            50  O1c O    48.8845  -21.9820
            51  O2c O    47.4845  -25.2020
            52  C2a C    27.8433  -27.5702
BOND        54
            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

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