KEGG   COMPOUND: C07348
Entry
C07348                      Compound                               
Name
5-Hydroxythiophene-2-carbonyl-CoA
Formula
C26H38N7O18P3S2
Exact mass
893.0928
Mol weight
893.6673
Structure
Reaction
Enzyme
Other DBs
PubChem: 9555
ChEBI: 15502
NIKKAJI: J2.765.030I
KCF data

ATOM        56
            1   S2a S    25.1300  -21.9100
            2   C1b C    26.3200  -21.2100
            3   C1b C    27.5800  -21.9100
            4   N1b N    28.7700  -21.2100
            5   C5a C    29.9600  -21.9100
            6   C1b C    31.2200  -21.2100
            7   C1b C    32.4100  -21.9100
            8   N1b N    33.6000  -21.2100
            9   C5a C    34.8600  -21.9100
            10  C1c C    36.0500  -21.2100
            11  C1d C    37.2400  -21.9100
            12  C1b C    38.4300  -21.2100
            13  O2b O    39.6900  -21.9100
            14  O5a O    29.9600  -23.3100
            15  O5a O    34.8600  -23.3100
            16  O1a O    36.0500  -19.8100
            17  C1a C    37.2400  -20.5100
            18  C1a C    37.2400  -23.3100
            19  P1b P    41.0900  -21.9100
            20  O1c O    42.4900  -21.9100
            21  O1c O    41.0900  -23.3100
            22  C1y C    34.5800  -16.9400
            23  C1y C    35.9800  -16.9400
            24  C1y C    36.4000  -15.6100
            25  O2x O    35.2800  -14.7700
            26  C1y C    34.1600  -15.6100
            27  C1b C    37.7300  -15.1900
            28  O1a O    33.7400  -18.0600
            29  O2b O    36.8200  -18.0600
            30  P1b P    38.2200  -18.0600
            31  O1c O    38.2200  -16.6600
            32  O1c O    39.6200  -18.0600
            33  O1c O    38.2200  -19.4600
            34  C8y C    30.0300  -13.7900
            35  C8y C    30.0300  -15.1900
            36  N4y N    32.4800  -15.1900
            37  C8x C    32.4800  -13.7900
            38  N5x N    31.2200  -13.0900
            39  C8y C    28.8400  -13.0900
            40  N5x N    27.5800  -13.7900
            41  C8x C    27.5800  -15.1900
            42  N5x N    28.8400  -15.8900
            43  N1a N    28.8400  -11.6900
            44  O2b O    39.6900  -15.6100
            45  P1b P    41.0900  -15.6100
            46  O1c O    41.0900  -14.2100
            47  O1c O    42.4900  -15.6100
            48  O2c O    41.0900  -18.8300
            49  C5a C    24.0100  -21.3500
            50  C8y C    22.9600  -21.9100
            51  O5a O    24.0100  -20.0200
            52  S2x S    21.8400  -21.1400
            53  C8x C    22.5400  -23.2400
            54  C8y C    20.7200  -21.9100
            55  C8x C    21.1400  -23.2400
            56  O1a O    19.3900  -21.4900
BOND        59
            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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   49  51 2
            54   50  52 1
            55   50  53 2
            56   52  54 1
            57   53  55 1
            58   54  56 1
            59   54  55 2

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