KEGG   COMPOUND: C22205
Entry
C22205                      Compound                               
Name
(R)-3-(4-Hydroxyphenyl)lactoyl-CoA
Formula
C30H44N7O19P3S
Exact mass
931.1626
Mol weight
931.6921
Structure
Reaction
Enzyme
2.8.3.17        4.2.1.175
Other DBs
PubChem: 405226396
LinkDB
KCF data

ATOM        60
            1   C1c C    11.1300  -20.2300
            2   C1b C     9.9400  -19.5300
            3   C8y C     8.7500  -20.2300
            4   O1a O    11.1300  -21.6300
            5   C8x C     8.7500  -21.6300
            6   C8x C     7.4900  -22.3300
            7   C8y C     6.3000  -21.6300
            8   C8x C     6.3000  -20.2300
            9   C8x C     7.4900  -19.5300
            10  C5a C    12.3900  -19.5300
            11  S2a S    13.5800  -20.2300
            12  C1b C    14.7700  -19.5300
            13  C1b C    16.0300  -20.2300
            14  N1b N    17.2200  -19.5300
            15  C5a C    18.4100  -20.2300
            16  C1b C    19.6700  -19.5300
            17  C1b C    20.8600  -20.2300
            18  N1b N    22.0500  -19.5300
            19  C5a C    23.3100  -20.2300
            20  C1c C    24.5000  -19.5300
            21  C1d C    25.6900  -20.2300
            22  C1b C    26.8800  -19.5300
            23  O2b O    28.1400  -20.2300
            24  O5a O    12.3900  -18.1300
            25  O5a O    18.4100  -21.6300
            26  O5a O    23.3100  -21.6300
            27  O1a O    24.5000  -18.1300
            28  C1a C    25.6900  -18.8300
            29  C1a C    25.6900  -21.6300
            30  P1b P    29.5400  -20.2300
            31  O1c O    30.9400  -20.2300
            32  O1c O    29.5400  -21.6300
            33  C1y C    23.0300  -15.2600
            34  C1y C    24.4300  -15.2600
            35  C1y C    24.8500  -13.9300
            36  O2x O    23.7300  -13.0900
            37  C1y C    22.6100  -13.9300
            38  C1b C    26.1800  -13.5100
            39  O1a O    22.1900  -16.3800
            40  O2b O    25.2700  -16.3800
            41  P1b P    26.6700  -16.3800
            42  O1c O    26.6700  -14.9800
            43  O1c O    28.0700  -16.3800
            44  O1c O    26.6700  -17.7800
            45  C8y C    18.4800  -12.1100
            46  C8y C    18.4800  -13.5100
            47  N4y N    20.9300  -13.5100
            48  C8x C    20.9300  -12.1100
            49  N5x N    19.6700  -11.4100
            50  C8y C    17.2900  -11.4100
            51  N5x N    16.0300  -12.1100
            52  C8x C    16.0300  -13.5100
            53  N5x N    17.2900  -14.2100
            54  N1a N    17.2900  -10.0100
            55  O2b O    28.1400  -13.9300
            56  P1b P    29.5400  -13.9300
            57  O1c O    29.5400  -12.5300
            58  O1c O    30.9400  -13.9300
            59  O2c O    29.5400  -17.1500
            60  O1a O     5.0847  -22.3251
BOND        63
            1     1   2 1
            2     2   3 1
            3     1   4 1 #Down
            4     3   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     3   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   10  24 2
            25   15  25 2
            26   19  26 2
            27   20  27 1 #Down
            28   21  28 1
            29   21  29 1
            30   23  30 1
            31   30  31 2
            32   30  32 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   33  37 1
            38   35  38 1 #Down
            39   33  39 1 #Up
            40   34  40 1 #Up
            41   40  41 1
            42   41  42 1
            43   41  43 1
            44   41  44 2
            45   45  46 2
            46   46  47 1
            47   47  48 1
            48   48  49 2
            49   45  49 1
            50   45  50 1
            51   50  51 2
            52   51  52 1
            53   52  53 2
            54   46  53 1
            55   50  54 1
            56   37  47 1 #Down
            57   38  55 1
            58   55  56 1
            59   56  57 1
            60   56  58 2
            61   56  59 1
            62   30  59 1
            63    7  60 1

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