KEGG   COMPOUND: C23009
Entry
C23009                      Compound                               
Name
(7aS)-7a-Methyl-1,5-dioxo-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboxyl-CoA;
HIEC-CoA
Formula
C32H46N7O19P3S
Exact mass
957.1782
Mol weight
957.73
Structure
Reaction
Pathway
map00984  Steroid degradation
map01120  Microbial metabolism in diverse environments
Enzyme
4.1.-.-
Other DBs
PubChem: 507530368
LinkDB
KCF data

ATOM        62
            1   S2a S    11.7600  -20.3700
            2   C1b C    12.9500  -19.6700
            3   C1b C    14.2100  -20.3700
            4   N1b N    15.4000  -19.6700
            5   C5a C    16.5900  -20.3700
            6   C1b C    17.8500  -19.6700
            7   C1b C    19.0400  -20.3700
            8   N1b N    20.2300  -19.6700
            9   C5a C    21.4900  -20.3700
            10  C1c C    22.6800  -19.6700
            11  C1d C    23.8700  -20.3700
            12  C1b C    25.0600  -19.6700
            13  O2b O    26.3200  -20.3700
            14  O5a O    16.5900  -21.7700
            15  O5a O    21.4900  -21.7700
            16  O1a O    22.6800  -18.2700
            17  C1a C    23.8700  -18.9700
            18  C1a C    23.8700  -21.7700
            19  P1b P    27.7200  -20.3700
            20  O1c O    29.1200  -20.3700
            21  O1c O    27.7200  -21.7700
            22  C1y C    21.2100  -15.4000
            23  C1y C    22.6100  -15.4000
            24  C1y C    23.0300  -14.0700
            25  O2x O    21.9100  -13.2300
            26  C1y C    20.7900  -14.0700
            27  C1b C    24.3600  -13.6500
            28  O1a O    20.3700  -16.5200
            29  O2b O    23.4500  -16.5200
            30  P1b P    24.8500  -16.5200
            31  O1c O    24.8500  -15.1200
            32  O1c O    26.2500  -16.5200
            33  O1c O    24.8500  -17.9200
            34  C8y C    16.6600  -12.2500
            35  C8y C    16.6600  -13.6500
            36  N4y N    19.1100  -13.6500
            37  C8x C    19.1100  -12.2500
            38  N5x N    17.8500  -11.5500
            39  C8y C    15.4700  -11.5500
            40  N5x N    14.2100  -12.2500
            41  C8x C    14.2100  -13.6500
            42  N5x N    15.4700  -14.3500
            43  N1a N    15.4700  -10.1500
            44  O2b O    26.3200  -14.0700
            45  P1b P    27.7200  -14.0700
            46  O1c O    27.7200  -12.6700
            47  O1c O    29.1200  -14.0700
            48  O2c O    27.7200  -17.2900
            49  C5a C    10.5000  -19.6700
            50  O5a O     9.3100  -20.3700
            51  C2y C    10.5000  -18.2700
            52  C2y C    11.6900  -17.5700
            53  C1z C    11.6900  -16.1700
            54  C1x C    10.5000  -15.4700
            55  C1a C    11.6900  -14.7700
            56  C5x C     9.2400  -17.5700
            57  C1x C     9.2400  -16.1700
            58  O5x O     8.1200  -18.3400
            59  C1x C    13.0200  -17.9900
            60  C1x C    13.7900  -16.8700
            61  C5x C    13.0200  -15.7500
            62  O5x O    13.4400  -14.3500
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  50 2
            52   49   1 1
            53   52  53 1
            54   52  51 2
            55   53  54 1
            56   53  55 1 #Up
            57   51  56 1
            58   54  57 1
            59   56  58 2
            60   56  57 1
            61   52  59 1
            62   59  60 1
            63   60  61 1
            64   53  61 1
            65   61  62 2
            66   49  51 1

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