KEGG   COMPOUND: C22125
Entry
C22125                      Compound                               
Name
C40-Phthioceranyl-[(hydroxy)phthioceranic acid synthase]
Formula
C44H84N2O3SR2
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 405226317
LinkDB
KCF data

ATOM        52
            1   C1c C     5.3636  -16.8833
            2   C5a C     4.1486  -17.5870
            3   N1b N     5.3636  -15.4881
            4   C1b C     6.5674  -17.5870
            5   N1b N     2.9393  -16.8833
            6   O5a O     4.1486  -18.9881
            7   C5a C     4.1486  -14.7904
            8   S2a S     7.7767  -16.8833
            9   R   R     1.7300  -17.5870
            10  O5a O     4.1486  -13.3950
            11  R   R     2.9393  -15.4881
            12  C5a C     8.9777  -17.5543
            13  C1c C    10.1888  -16.8551
            14  C1b C    11.4000  -17.5543
            15  C1c C    12.6111  -16.8551
            16  C1b C    13.8223  -17.5543
            17  C1c C    15.0334  -16.8551
            18  C1b C    16.2444  -17.5543
            19  C1c C    17.4556  -16.8551
            20  C1b C    18.6666  -17.5543
            21  C1c C    19.8778  -16.8551
            22  C1b C    21.0889  -17.5543
            23  C1c C    22.3001  -16.8551
            24  C1b C    23.5112  -17.5543
            25  C1c C    24.7224  -16.8551
            26  C1b C    25.9334  -17.5543
            27  C1c C    27.1446  -16.8551
            28  O5a O     8.9777  -18.9529
            29  C1a C    10.1888  -15.4440
            30  C1a C    12.6108  -15.4443
            31  C1a C    15.0336  -15.4441
            32  C1a C    17.4555  -15.4440
            33  C1a C    19.8775  -15.4443
            34  C1a C    22.3002  -15.4441
            35  C1a C    24.7223  -15.4440
            36  C1b C    28.3854  -17.5404
            37  C1b C    29.5959  -16.8416
            38  C1b C    30.8062  -17.5404
            39  C1b C    32.0166  -16.8416
            40  C1b C    33.2270  -17.5404
            41  C1b C    34.4374  -16.8416
            42  C1b C    35.6477  -17.5404
            43  C1b C    36.8582  -16.8416
            44  C1a C    27.1309  -15.4447
            45  C1b C    38.0989  -17.5404
            46  C1b C    39.3094  -16.8416
            47  C1b C    40.5197  -17.5404
            48  C1b C    41.7301  -16.8416
            49  C1b C    42.9405  -17.5404
            50  C1b C    44.1509  -16.8416
            51  C1b C    45.3612  -17.5404
            52  C1a C    46.5717  -16.8416
BOND        51
            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   27  44 1 #Up
            44   43  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   50  51 1
            51   51  52 1

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