KEGG   COMPOUND: C20747
Entry
C20747                      Compound                               
Name
(R)-Malyl-CoA;
(3R)-3-Carboxy-3-hydroxypropanoyl-CoA
Formula
C25H40N7O20P3S
Exact mass
883.1262
Mol weight
883.61
Structure
Reaction
Enzyme
Other DBs
PubChem: 254741215
LinkDB
KCF data

ATOM        56
            1   C1b C    10.5924  -20.5800
            2   C5a C    11.8049  -19.8800
            3   S2a S    13.0173  -20.5800
            4   C1b C    14.2297  -19.8800
            5   C1b C    15.4422  -20.5800
            6   N1b N    16.6546  -19.8800
            7   C5a C    17.8670  -20.5800
            8   C1b C    19.0795  -19.8800
            9   C1b C    20.2919  -20.5800
            10  N1b N    21.5044  -19.8800
            11  C5a C    22.7168  -20.5800
            12  C1c C    23.9292  -19.8800
            13  C1d C    25.1417  -20.5800
            14  C1b C    26.3541  -19.8800
            15  O2b O    27.5665  -20.5800
            16  O5a O    11.8049  -18.4802
            17  O5a O    17.8670  -21.9799
            18  O5a O    22.7168  -21.9796
            19  O1a O    23.9292  -18.4800
            20  C1a C    25.1417  -19.1800
            21  C1a C    25.1417  -21.9800
            22  P1b P    28.9665  -20.5800
            23  O1c O    30.3665  -20.5800
            24  O1c O    28.9665  -21.9800
            25  C1y C    22.4700  -15.6100
            26  C1y C    23.8700  -15.6100
            27  C1y C    24.3026  -14.2785
            28  O2x O    23.1700  -13.4556
            29  C1y C    22.0374  -14.2785
            30  C1b C    25.6222  -13.8497
            31  O1a O    21.6471  -16.7426
            32  O2b O    24.6929  -16.7426
            33  P1b P    26.0929  -16.7426
            34  O1c O    26.0929  -15.3426
            35  O1c O    27.4929  -16.7426
            36  O1c O    26.0929  -18.1426
            37  C8y C    17.9200  -12.4600
            38  C8y C    17.9200  -13.8600
            39  N4y N    20.3449  -13.8600
            40  C8x C    20.3449  -12.4600
            41  N5x N    19.1324  -11.7600
            42  C8y C    16.7076  -11.7600
            43  N5x N    15.4951  -12.4600
            44  C8x C    15.4951  -13.8600
            45  N5x N    16.7076  -14.5600
            46  N1a N    16.7076  -10.3602
            47  O2b O    27.6045  -14.2820
            48  P1b P    29.0045  -14.2820
            49  O1c O    29.0045  -12.8820
            50  O1c O    30.4045  -14.2820
            51  O2c O    29.0045  -17.5020
            52  C1c C     9.3576  -19.8800
            53  C6a C     8.1451  -20.5800
            54  O6a O     6.9327  -19.8800
            55  O1a O     9.3520  -18.4803
            56  O6a O     8.1451  -21.9798
BOND        58
            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    1  52 1
            55   52  53 1
            56   53  54 1
            57   52  55 1 #Down
            58   53  56 2

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