KEGG   COMPOUND: C02331Help
Entry
C02331                      Compound                               

Name
Vinylacetyl-CoA;
3-Butenoyl-CoA;
But-3-enoyl-CoA
Formula
C25H40N7O17P3S
Exact mass
835.1414
Mol weight
835.6081
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Butanoate metabolism
Carbon fixation pathways in prokaryotes
Metabolic pathways
Microbial metabolism in diverse environments
Carbon metabolism
Enzyme
4.2.1.120       5.3.3.3
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        53
            1   C1b C    29.6324  -35.6300
            2   C5a C    30.8449  -34.9300
            3   S2a S    32.0573  -35.6300
            4   C1b C    33.2697  -34.9300
            5   C1b C    34.4822  -35.6300
            6   N1b N    35.6946  -34.9300
            7   C5a C    36.9070  -35.6300
            8   C1b C    38.1195  -34.9300
            9   C1b C    39.3319  -35.6300
            10  N1b N    40.5444  -34.9300
            11  C5a C    41.7568  -35.6300
            12  C1c C    42.9692  -34.9300
            13  C1d C    44.1817  -35.6300
            14  C1b C    45.3941  -34.9300
            15  O2b O    46.6065  -35.6300
            16  O5a O    30.8449  -33.5302
            17  O5a O    36.9070  -37.0299
            18  O5a O    41.7568  -37.0296
            19  O1a O    42.9692  -33.5300
            20  C1a C    44.1817  -34.2300
            21  C1a C    44.1817  -37.0300
            22  P1b P    48.0065  -35.6300
            23  O1c O    49.4065  -35.6300
            24  O1c O    48.0065  -37.0300
            25  C1y C    41.5100  -30.6600
            26  C1y C    42.9100  -30.6600
            27  C1y C    43.3426  -29.3285
            28  O2x O    42.2100  -28.5056
            29  C1y C    41.0774  -29.3285
            30  C1b C    44.6622  -28.8997
            31  O1a O    40.6871  -31.7926
            32  O2b O    43.7329  -31.7926
            33  P1b P    45.1329  -31.7926
            34  O1c O    45.1329  -30.3926
            35  O1c O    46.5329  -31.7926
            36  O1c O    45.1329  -33.1926
            37  C8y C    36.9600  -27.5100
            38  C8y C    36.9600  -28.9100
            39  N4y N    39.3849  -28.9100
            40  C8x C    39.3849  -27.5100
            41  N5x N    38.1724  -26.8100
            42  C8y C    35.7476  -26.8100
            43  N5x N    34.5351  -27.5100
            44  C8x C    34.5351  -28.9100
            45  N5x N    35.7476  -29.6100
            46  N1a N    35.7476  -25.4102
            47  O2b O    46.6445  -29.3320
            48  P1b P    48.0445  -29.3320
            49  O1c O    48.0445  -27.9320
            50  O1c O    49.4445  -29.3320
            51  O2c O    48.0445  -32.5520
            52  C2b C    28.4033  -34.9202
            53  C2a C    27.1992  -35.6153
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   52  53 2

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