KEGG   COMPOUND: C19975Help
Entry
C19975                      Compound                               

Name
2-Oxepin-2(3H)-ylideneacetyl-CoA
Formula
C29H42N7O18P3S
Exact mass
901.152
Mol weight
901.6662
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylalanine metabolism
Microbial metabolism in diverse environments
Enzyme
3.3.2.12        5.3.3.18
Other DBs
PubChem: 
LinkDB All DBs
KCF data Show

ATOM        58
            1   C2b C    11.8300  -19.6000
            2   C5a C    13.0900  -18.9000
            3   S2a S    14.2800  -19.6000
            4   C1b C    15.4700  -18.9000
            5   C1b C    16.7300  -19.6000
            6   N1b N    17.9200  -18.9000
            7   C5a C    19.1100  -19.6000
            8   C1b C    20.3700  -18.9000
            9   C1b C    21.5600  -19.6000
            10  N1b N    22.7500  -18.9000
            11  C5a C    24.0100  -19.6000
            12  C1c C    25.2000  -18.9000
            13  C1d C    26.3900  -19.6000
            14  C1b C    27.5800  -18.9000
            15  O2b O    28.8400  -19.6000
            16  O5a O    13.0900  -17.5000
            17  O5a O    19.1100  -21.0000
            18  O5a O    24.0100  -21.0000
            19  O1a O    25.2000  -17.5000
            20  C1a C    26.3900  -18.2000
            21  C1a C    26.3900  -21.0000
            22  P1b P    30.2400  -19.6000
            23  O1c O    31.6400  -19.6000
            24  O1c O    30.2400  -21.0000
            25  C1y C    23.7300  -14.6300
            26  C1y C    25.1300  -14.6300
            27  C1y C    25.5500  -13.3000
            28  O2x O    24.4300  -12.4600
            29  C1y C    23.3100  -13.3000
            30  C1b C    26.8800  -12.8800
            31  O1a O    22.8900  -15.7500
            32  O2b O    25.9700  -15.7500
            33  P1b P    27.3700  -15.7500
            34  O1c O    27.3700  -14.3500
            35  O1c O    28.7700  -15.7500
            36  O1c O    27.3700  -17.1500
            37  C8y C    19.1800  -11.4800
            38  C8y C    19.1800  -12.8800
            39  N4y N    21.6300  -12.8800
            40  C8x C    21.6300  -11.4800
            41  N5x N    20.3700  -10.7800
            42  C8y C    17.9900  -10.7800
            43  N5x N    16.7300  -11.4800
            44  C8x C    16.7300  -12.8800
            45  N5x N    17.9900  -13.5800
            46  N1a N    17.9900   -9.3800
            47  O2b O    28.8400  -13.3000
            48  P1b P    30.2400  -13.3000
            49  O1c O    30.2400  -11.9000
            50  O1c O    31.6400  -13.3000
            51  O2c O    30.2400  -16.5200
            52  C1x C    10.5700  -21.6300
            53  C2y C    11.8300  -21.0000
            54  O2x O    13.0900  -21.5600
            55  C2x C    13.4400  -22.9600
            56  C2x C    10.3600  -23.0300
            57  C2x C    12.6700  -24.0800
            58  C2x C    11.2700  -24.0800
BOND        61
            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   54  55 1
            55   52  56 1
            56   55  57 2
            57   53  54 1
            58   56  58 2
            59   52  53 1
            60   57  58 1
            61    1  53 2

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