KEGG   COMPOUND: C05278Help
Entry
C05278                      Compound                               

Name
(R)-3-Hydroxycapryloyl-CoA
Formula
C29H50N7O18P3S
Exact mass
909.2146
Mol weight
909.7297
Structure
Mol fileKCF fileDB searchJmolKegDraw
Enzyme
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   S2a S    14.8373  -20.5800
            2   C1b C    16.0497  -19.8800
            3   C1b C    17.2622  -20.5800
            4   N1b N    18.4746  -19.8800
            5   C5a C    19.6870  -20.5800
            6   C1b C    20.8995  -19.8800
            7   C1b C    22.1119  -20.5800
            8   N1b N    23.3244  -19.8800
            9   C5a C    24.5368  -20.5800
            10  C1c C    25.7492  -19.8800
            11  C1d C    26.9617  -20.5800
            12  C1b C    28.1741  -19.8800
            13  O2b O    29.3865  -20.5800
            14  O5a O    19.6870  -21.9799
            15  O5a O    24.5368  -21.9796
            16  O1a O    25.7492  -18.4800
            17  C1a C    26.9617  -19.1800
            18  C1a C    26.9617  -21.9800
            19  P1b P    30.7865  -20.5800
            20  O1c O    32.1865  -20.5800
            21  O1c O    30.7865  -21.9800
            22  C1y C    24.2900  -15.6100
            23  C1y C    25.6900  -15.6100
            24  C1y C    26.1226  -14.2785
            25  O2x O    24.9900  -13.4556
            26  C1y C    23.8574  -14.2785
            27  C1b C    27.4422  -13.8497
            28  O1a O    23.4671  -16.7426
            29  O2b O    26.5129  -16.7426
            30  P1b P    27.9129  -16.7426
            31  O1c O    27.9129  -15.3426
            32  O1c O    29.3129  -16.7426
            33  O1c O    27.9129  -18.1426
            34  C8y C    19.7400  -12.4600
            35  C8y C    19.7400  -13.8600
            36  N4y N    22.1649  -13.8600
            37  C8x C    22.1649  -12.4600
            38  N5x N    20.9524  -11.7600
            39  C8y C    18.5276  -11.7600
            40  N5x N    17.3151  -12.4600
            41  C8x C    17.3151  -13.8600
            42  N5x N    18.5276  -14.5600
            43  N1a N    18.5276  -10.3602
            44  O2b O    29.4245  -14.2820
            45  P1b P    30.8245  -14.2820
            46  O1c O    30.8245  -12.8820
            47  O1c O    32.2245  -14.2820
            48  O2c O    30.8245  -17.5020
            49  C5a C    13.6276  -19.8800
            50  C1b C    12.4151  -20.5800
            51  C1c C    11.2027  -19.8800
            52  C1b C     9.9903  -20.5800
            53  C1b C     8.7778  -19.8800
            54  C1b C     7.5654  -20.5800
            55  C1b C     6.3530  -19.8800
            56  C1a C     5.1405  -20.5800
            57  O5a O    13.6282  -18.4802
            58  O1a O    11.2027  -18.4800
BOND        60
            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   50  51 1
            54   51  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   49  57 2
            60   51  58 1 #Up

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