KEGG   COMPOUND: C22126
Entry
C22126                      Compound                               
Name
C37-Phthioceranyl-[(hydroxy)phthioceranic acid synthase]
Formula
C41H78N2O3SR2
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 405226318
KCF data

ATOM        49
            1   C1c C     5.3583  -16.8705
            2   C5a C     4.1443  -17.5736
            3   N1b N     5.3583  -15.4764
            4   C1b C     6.5611  -17.5736
            5   N1b N     2.9359  -16.8705
            6   O5a O     4.1443  -18.9738
            7   C5a C     4.1443  -14.7792
            8   S2a S     7.7695  -16.8705
            9   R   R     1.7275  -17.5736
            10  O5a O     4.1443  -13.3848
            11  R   R     2.9359  -15.4764
            12  C5a C     8.9696  -17.5410
            13  C1c C    10.1798  -16.8423
            14  C1b C    11.3900  -17.5410
            15  C1c C    12.6003  -16.8423
            16  C1b C    13.8105  -17.5410
            17  C1c C    15.0208  -16.8423
            18  C1b C    16.2308  -17.5410
            19  C1c C    17.4410  -16.8423
            20  C1b C    18.6513  -17.5410
            21  C1c C    19.8615  -16.8423
            22  C1b C    21.0718  -17.5410
            23  C1c C    22.2820  -16.8423
            24  C1b C    23.4922  -17.5410
            25  C1c C    24.7025  -16.8423
            26  C1b C    25.9126  -17.5410
            27  C1b C    27.1228  -16.8423
            28  O5a O     8.9696  -18.9386
            29  C1a C    10.1798  -15.4323
            30  C1a C    12.6000  -15.4326
            31  C1a C    15.0210  -15.4324
            32  C1a C    17.4409  -15.4323
            33  C1a C    19.8612  -15.4326
            34  C1a C    22.2821  -15.4324
            35  C1a C    24.7024  -15.4323
            36  C1b C    28.3626  -17.5271
            37  C1b C    29.5722  -16.8288
            38  C1b C    30.7816  -17.5271
            39  C1b C    31.9911  -16.8288
            40  C1b C    33.2006  -17.5271
            41  C1b C    34.4100  -16.8288
            42  C1b C    35.6195  -17.5271
            43  C1b C    36.8290  -16.8288
            44  C1b C    38.0688  -17.5271
            45  C1b C    39.2783  -16.8288
            46  C1b C    40.4878  -17.5271
            47  C1b C    41.6972  -16.8288
            48  C1b C    42.9068  -17.5271
            49  C1a C    44.1369  -16.8166
BOND        48
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 2
            10    7  11 1
            11    8  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   12  28 2
            28   13  29 1 #Up
            29   15  30 1 #Up
            30   17  31 1 #Up
            31   19  32 1 #Up
            32   21  33 1 #Up
            33   23  34 1 #Up
            34   25  35 1 #Up
            35   27  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1

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