KEGG   COMPOUND: C23021
Entry
C23021                      Compound                               
Name
9-Carboxy-6-methyl-3,7-dioxononanoyl-CoA;
6-Methyl-3,7-dioxodecanedioyl-CoA
Formula
C32H50N7O21P3S
Exact mass
993.1993
Mol weight
993.76
Structure
Reaction
Pathway
map00984  Steroid degradation
map01120  Microbial metabolism in diverse environments
Enzyme
2.3.1.16        4.1.-.-
Other DBs
PubChem: 507530380
LinkDB
KCF data

ATOM        64
            1   S2a S    23.8000  -16.7300
            2   C1b C    25.9700  -16.7300
            3   C1b C    27.2300  -17.4300
            4   N1b N    28.4200  -16.7300
            5   C5a C    29.6100  -17.4300
            6   C1b C    30.8700  -16.7300
            7   C1b C    32.0600  -17.4300
            8   N1b N    33.2500  -16.7300
            9   C5a C    34.5100  -17.4300
            10  C1c C    35.7000  -16.7300
            11  C1d C    36.8900  -17.4300
            12  C1b C    38.0800  -16.7300
            13  O2b O    39.3400  -17.4300
            14  O5a O    29.6100  -18.8300
            15  O5a O    34.5100  -18.8300
            16  O1a O    35.7000  -15.3300
            17  C1a C    36.8900  -16.0300
            18  C1a C    36.8900  -18.8300
            19  P1b P    40.7400  -17.4300
            20  O1c O    42.1400  -17.4300
            21  O1c O    40.7400  -18.8300
            22  C1y C    34.2300  -12.4600
            23  C1y C    35.6300  -12.4600
            24  C1y C    36.0500  -11.1300
            25  O2x O    34.9300  -10.2900
            26  C1y C    33.8100  -11.1300
            27  C1b C    37.3800  -10.7100
            28  O1a O    33.3900  -13.5800
            29  O2b O    36.4700  -13.5800
            30  P1b P    37.8700  -13.5800
            31  O1c O    37.8700  -12.1800
            32  O1c O    39.2700  -13.5800
            33  O1c O    37.8700  -14.9800
            34  C8y C    29.6800   -9.3100
            35  C8y C    29.6800  -10.7100
            36  N4y N    32.1300  -10.7100
            37  C8x C    32.1300   -9.3100
            38  N5x N    30.8700   -8.6100
            39  C8y C    28.4900   -8.6100
            40  N5x N    27.2300   -9.3100
            41  C8x C    27.2300  -10.7100
            42  N5x N    28.4900  -11.4100
            43  N1a N    28.4900   -7.2100
            44  O2b O    39.3400  -11.1300
            45  P1b P    40.7400  -11.1300
            46  O1c O    40.7400   -9.7300
            47  O1c O    42.1400  -11.1300
            48  O2c O    40.7400  -14.3500
            49  C5a C    22.5400  -16.0300
            50  O5a O    22.5400  -14.6300
            51  C1b C    21.3334  -16.7400
            52  C5a C    20.1237  -16.0547
            53  C1b C    18.9034  -16.7730
            54  O5a O    20.1124  -14.6302
            55  C1b C    17.6942  -16.0887
            56  C1c C    16.4948  -16.7951
            57  C5a C    15.2976  -16.1176
            58  C1a C    16.5068  -18.1999
            59  C1b C    14.1230  -16.8093
            60  O5a O    15.3550  -14.7007
            61  C1b C    12.9136  -16.1247
            62  C6a C    11.6937  -16.8435
            63  O6a O    10.4838  -16.1593
            64  O6a O    11.7065  -18.2699
BOND        66
            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   49   1 1
            52   49  50 2
            53   49  51 1
            54   51  52 1
            55   52  53 1
            56   52  54 2
            57   53  55 1
            58   55  56 1
            59   56  57 1
            60   56  58 1
            61   57  59 1
            62   57  60 2
            63   59  61 1
            64   61  62 1
            65   62  63 1
            66   62  64 2

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