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 search
Reaction
Pathway
map00360  Phenylalanine metabolism
map01120  Microbial metabolism in diverse environments
Enzyme
3.3.2.12        5.3.3.18
Other DBs
PubChem: 135626441
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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