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
map00410  beta-Alanine metabolism
map00640  Propanoate metabolism
map00643  Styrene degradation
map00720  Carbon fixation pathways in prokaryotes
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01200  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: 4150
ChEBI: 15513
LIPIDMAPS: LMFA07050282
3DMET: B04746
NIKKAJI: J1.210.753F
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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