KEGG   COMPOUND: C22206
Entry
C22206                      Compound                               
Name
(R)-3-(Indol-3-yl)lactoyl-CoA;
(R)-3-Indolelactyl-CoA
Formula
C32H45N8O18P3S
Exact mass
954.1785
Mol weight
954.7288
Structure
Reaction
Enzyme
2.8.3.17        4.2.1.175
Other DBs
PubChem: 405226397
LinkDB
KCF data

ATOM        62
            1   S2a S    17.5000  -20.1600
            2   C1b C    18.6900  -19.4600
            3   C1b C    19.9500  -20.1600
            4   N1b N    21.1400  -19.4600
            5   C5a C    22.3300  -20.1600
            6   C1b C    23.5900  -19.4600
            7   C1b C    24.7800  -20.1600
            8   N1b N    25.9700  -19.4600
            9   C5a C    27.2300  -20.1600
            10  C1c C    28.4200  -19.4600
            11  C1d C    29.6100  -20.1600
            12  C1b C    30.8000  -19.4600
            13  O2b O    32.0600  -20.1600
            14  O5a O    22.3300  -21.5600
            15  O5a O    27.2300  -21.5600
            16  O1a O    28.4200  -18.0600
            17  C1a C    29.6100  -18.7600
            18  C1a C    29.6100  -21.5600
            19  P1b P    33.4600  -20.1600
            20  O1c O    34.8600  -20.1600
            21  O1c O    33.4600  -21.5600
            22  C1y C    26.9500  -15.1900
            23  C1y C    28.3500  -15.1900
            24  C1y C    28.7700  -13.8600
            25  O2x O    27.6500  -13.0200
            26  C1y C    26.5300  -13.8600
            27  C1b C    30.1000  -13.4400
            28  O1a O    26.1100  -16.3100
            29  O2b O    29.1900  -16.3100
            30  P1b P    30.5900  -16.3100
            31  O1c O    30.5900  -14.9100
            32  O1c O    31.9900  -16.3100
            33  O1c O    30.5900  -17.7100
            34  C8y C    22.4000  -12.0400
            35  C8y C    22.4000  -13.4400
            36  N4y N    24.8500  -13.4400
            37  C8x C    24.8500  -12.0400
            38  N5x N    23.5900  -11.3400
            39  C8y C    21.2100  -11.3400
            40  N5x N    19.9500  -12.0400
            41  C8x C    19.9500  -13.4400
            42  N5x N    21.2100  -14.1400
            43  N1a N    21.2100   -9.9400
            44  O2b O    32.0600  -13.8600
            45  P1b P    33.4600  -13.8600
            46  O1c O    33.4600  -12.4600
            47  O1c O    34.8600  -13.8600
            48  O2c O    33.4600  -17.0800
            49  C5a C    16.3100  -19.4600
            50  C1c C    15.1200  -20.1600
            51  O5a O    16.3100  -18.0600
            52  C1b C    13.9300  -19.4600
            53  C8y C    12.7400  -20.1600
            54  C8x C    12.5300  -21.5600
            55  N4x N    11.2000  -21.8400
            56  C8y C    10.5000  -20.5800
            57  C8y C    11.4100  -19.6000
            58  C8x C     9.1000  -20.3000
            59  C8x C     8.6800  -18.9700
            60  C8x C     9.6600  -17.9200
            61  C8x C    10.9900  -18.2000
            62  O1a O    15.1200  -21.5600
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    1  49 1
            52   49  50 1
            53   49  51 2
            54   50  52 1
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 1
            59   56  57 2
            60   53  57 1
            61   56  58 1
            62   58  59 2
            63   59  60 1
            64   60  61 2
            65   57  61 1
            66   50  62 1 #Down

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