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
Enzyme
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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