KEGG   COMPOUND: C07160
Entry
C07160                      Compound                               
Name
[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA;
2-Oxo-Delta3-4,5,5-trimethylcyclopentenylacetyl-CoA;
2-Oxo-Delta3-4,5,5-trimethylcyclopentenylacetyl coenzyme A
Formula
C31H48N7O18P3S
Exact mass
931.1989
Mol weight
931.7352
Structure
Reaction
Enzyme
Other DBs
PubChem: 9369
ChEBI: 27866
NIKKAJI: J2.764.951C
KCF data

ATOM        60
            1   C1b C    11.2000  -20.5800
            2   C5a C    12.4600  -19.8800
            3   S2a S    13.6500  -20.5800
            4   C1b C    14.8400  -19.8800
            5   C1b C    16.1000  -20.5800
            6   N1b N    17.2900  -19.8800
            7   C5a C    18.4800  -20.5800
            8   C1b C    19.7400  -19.8800
            9   C1b C    20.9300  -20.5800
            10  N1b N    22.1200  -19.8800
            11  C5a C    23.3800  -20.5800
            12  C1c C    24.5700  -19.8800
            13  C1d C    25.7600  -20.5800
            14  C1b C    26.9500  -19.8800
            15  O2b O    28.2100  -20.5800
            16  O5a O    12.4600  -18.4800
            17  O5a O    18.4800  -21.9800
            18  O5a O    23.3800  -21.9800
            19  O1a O    24.5700  -18.4800
            20  C1a C    25.7600  -19.1800
            21  C1a C    25.7600  -21.9800
            22  P1b P    29.6100  -20.5800
            23  O1c O    31.0100  -20.5800
            24  O1c O    29.6100  -21.9800
            25  C1y C    23.1000  -15.6100
            26  C1y C    24.5000  -15.6100
            27  C1y C    24.9200  -14.2800
            28  O2x O    23.8000  -13.4400
            29  C1y C    22.6800  -14.2800
            30  C1b C    26.2500  -13.8600
            31  O1a O    22.2600  -16.7300
            32  O2b O    25.3400  -16.7300
            33  P1b P    26.7400  -16.7300
            34  O1c O    26.7400  -15.3300
            35  O1c O    28.1400  -16.7300
            36  O1c O    26.7400  -18.1300
            37  C8y C    18.5500  -12.4600
            38  C8y C    18.5500  -13.8600
            39  N4y N    21.0000  -13.8600
            40  C8x C    21.0000  -12.4600
            41  N5x N    19.7400  -11.7600
            42  C8y C    17.3600  -11.7600
            43  N5x N    16.1000  -12.4600
            44  C8x C    16.1000  -13.8600
            45  N5x N    17.3600  -14.5600
            46  N1a N    17.3600  -10.3600
            47  O2b O    28.2100  -14.2800
            48  P1b P    29.6100  -14.2800
            49  O1c O    29.6100  -12.8800
            50  O1c O    31.0100  -14.2800
            51  O2c O    29.6100  -17.5000
            52  C1y C    10.0100  -19.8800
            53  C1z C     8.6800  -20.5800
            54  C5x C     9.6600  -18.5500
            55  C2y C     7.7000  -19.6700
            56  C1a C     9.4500  -21.7700
            57  C1a C     8.0500  -21.7700
            58  C2x C     8.2600  -18.4100
            59  O5x O    10.6400  -17.5000
            60  C1a C     6.3000  -19.9500
BOND        63
            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   52   1 1 #Down
            55   52  53 1
            56   52  54 1
            57   53  55 1
            58   53  56 1
            59   53  57 1
            60   54  58 1
            61   54  59 2
            62   55  60 1
            63   55  58 2

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