KEGG   COMPOUND: C23023
Entry
C23023                      Compound                               
Name
(2E)-7-Carboxy-4-methyl-5-oxohept-2-enoyl-CoA
Formula
C30H46N7O20P3S
Exact mass
949.1731
Mol weight
949.71
Structure
Reaction
Pathway
map00984  Steroid degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.99.-        4.2.1.-
Other DBs
PubChem: 507530382
LinkDB
KCF data

ATOM        61
            1   S2a S    14.9100  -19.6700
            2   C1b C    17.0800  -19.6700
            3   C1b C    18.3400  -20.3700
            4   N1b N    19.5300  -19.6700
            5   C5a C    20.7200  -20.3700
            6   C1b C    21.9800  -19.6700
            7   C1b C    23.1700  -20.3700
            8   N1b N    24.3600  -19.6700
            9   C5a C    25.6200  -20.3700
            10  C1c C    26.8100  -19.6700
            11  C1d C    28.0000  -20.3700
            12  C1b C    29.1900  -19.6700
            13  O2b O    30.4500  -20.3700
            14  O5a O    20.7200  -21.7700
            15  O5a O    25.6200  -21.7700
            16  O1a O    26.8100  -18.2700
            17  C1a C    28.0000  -18.9700
            18  C1a C    28.0000  -21.7700
            19  P1b P    31.8500  -20.3700
            20  O1c O    33.2500  -20.3700
            21  O1c O    31.8500  -21.7700
            22  C1y C    25.3400  -15.4000
            23  C1y C    26.7400  -15.4000
            24  C1y C    27.1600  -14.0700
            25  O2x O    26.0400  -13.2300
            26  C1y C    24.9200  -14.0700
            27  C1b C    28.4900  -13.6500
            28  O1a O    24.5000  -16.5200
            29  O2b O    27.5800  -16.5200
            30  P1b P    28.9800  -16.5200
            31  O1c O    28.9800  -15.1200
            32  O1c O    30.3800  -16.5200
            33  O1c O    28.9800  -17.9200
            34  C8y C    20.7900  -12.2500
            35  C8y C    20.7900  -13.6500
            36  N4y N    23.2400  -13.6500
            37  C8x C    23.2400  -12.2500
            38  N5x N    21.9800  -11.5500
            39  C8y C    19.6000  -11.5500
            40  N5x N    18.3400  -12.2500
            41  C8x C    18.3400  -13.6500
            42  N5x N    19.6000  -14.3500
            43  N1a N    19.6000  -10.1500
            44  O2b O    30.4500  -14.0700
            45  P1b P    31.8500  -14.0700
            46  O1c O    31.8500  -12.6700
            47  O1c O    33.2500  -14.0700
            48  O2c O    31.8500  -17.2900
            49  C5a C    13.6500  -18.9700
            50  O5a O    13.6500  -17.5700
            51  C2b C    12.4434  -19.6800
            52  C2b C    11.2337  -18.9947
            53  C1c C    10.0134  -19.7130
            54  C5a C     8.8042  -19.0287
            55  C1b C     7.6048  -19.7351
            56  C1b C     6.4076  -19.0576
            57  C6a C     5.2330  -19.7493
            58  O6a O     4.0236  -19.0647
            59  C1a C    10.0256  -21.1399
            60  O5a O     8.7923  -17.6403
            61  O6a O     5.2450  -21.1400
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    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 2
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   53  59 1
            62   54  60 2
            63   57  61 2

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