KEGG   COMPOUND: C03466Help
Entry
C03466                      Compound                               

Name
3-Methyl-vinylacetyl-CoA
Formula
C26H42N7O17P3S
Exact mass
849.1571
Mol weight
849.6347
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 6285
ChEBI: 28188
NIKKAJI: J2.742.636K
KCF data Show

ATOM        54
            1   C1b C    17.7324  -20.7900
            2   C5a C    18.9449  -20.0900
            3   S2a S    20.1573  -20.7900
            4   C1b C    21.3697  -20.0900
            5   C1b C    22.5822  -20.7900
            6   N1b N    23.7946  -20.0900
            7   C5a C    25.0070  -20.7900
            8   C1b C    26.2195  -20.0900
            9   C1b C    27.4319  -20.7900
            10  N1b N    28.6444  -20.0900
            11  C5a C    29.8568  -20.7900
            12  C1c C    31.0692  -20.0900
            13  C1d C    32.2817  -20.7900
            14  C1b C    33.4941  -20.0900
            15  O2b O    34.7065  -20.7900
            16  O5a O    18.9449  -18.6902
            17  O5a O    25.0070  -22.1899
            18  O5a O    29.8568  -22.1896
            19  O1a O    31.0692  -18.6900
            20  C1a C    32.2817  -19.3900
            21  C1a C    32.2817  -22.1900
            22  P1b P    36.1065  -20.7900
            23  O1c O    37.5065  -20.7900
            24  O1c O    36.1065  -22.1900
            25  C1y C    29.6100  -15.8200
            26  C1y C    31.0100  -15.8200
            27  C1y C    31.4426  -14.4885
            28  O2x O    30.3100  -13.6656
            29  C1y C    29.1774  -14.4885
            30  C1b C    32.7622  -14.0597
            31  O1a O    28.7871  -16.9526
            32  O2b O    31.8329  -16.9526
            33  P1b P    33.2329  -16.9526
            34  O1c O    33.2329  -15.5526
            35  O1c O    34.6329  -16.9526
            36  O1c O    33.2329  -18.3526
            37  C8y C    25.0600  -12.6700
            38  C8y C    25.0600  -14.0700
            39  N4y N    27.4849  -14.0700
            40  C8x C    27.4849  -12.6700
            41  N5x N    26.2724  -11.9700
            42  C8y C    23.8476  -11.9700
            43  N5x N    22.6351  -12.6700
            44  C8x C    22.6351  -14.0700
            45  N5x N    23.8476  -14.7700
            46  N1a N    23.8476  -10.5702
            47  O2b O    34.7445  -14.4920
            48  P1b P    36.1445  -14.4920
            49  O1c O    36.1445  -13.0920
            50  O1c O    37.5445  -14.4920
            51  O2c O    36.1445  -17.7120
            52  C2c C    16.4976  -20.0900
            53  C1a C    15.2851  -20.7900
            54  C2a C    16.4920  -18.6903
BOND        56
            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 1
            56   52  54 2

» Japanese version

DBGET integrated database retrieval system