KEGG   COMPOUND: C05370
Entry
C05370                      Compound                               
Name
Calyculin A
Formula
C50H81N4O15P
Exact mass
1008.5436
Mol weight
1009.1697
Structure
Other DBs
CAS: 101932-71-2
PubChem: 7744
KNApSAcK: C00038685
PDB-CCD: CYU[PDBj]
NIKKAJI: J342.392A
LinkDB
KCF data

ATOM        70
            1   O2a O     6.7200   -7.9800
            2   C1b C     7.9324   -7.2800
            3   C1c C     9.1449   -7.9800
            4   C1c C    10.3573   -7.2800
            5   C1c C    11.5697   -7.9800
            6   C5a C    12.7822   -7.2800
            7   N1b N    13.9946   -7.9800
            8   C1b C    15.2070   -7.2800
            9   C1b C    16.4195   -7.9800
            10  C1c C    17.6319   -7.2800
            11  C8y C    18.8444   -7.9800
            12  C1a C     5.5076   -7.2800
            13  N1c N     9.1449   -9.7298
            14  C1a C    10.3761  -10.4408
            15  C1a C     7.9513  -10.4190
            16  O1a O    10.3573   -5.8800
            17  O1a O    11.5697   -9.3799
            18  O5a O    12.7822   -5.8803
            19  C1a C    17.6319   -5.8800
            20  O2x O    18.9905   -9.3708
            21  C8x C    20.3584   -9.6615
            22  C8y C    21.0576   -8.4505
            23  N5x N    20.1219   -7.4112
            24  C2b C    22.2824   -7.7700
            25  C2b C    23.4949   -8.4700
            26  C1b C    24.7073   -7.7700
            27  C1y C    25.9197   -8.4700
            28  C1y C    25.9197   -9.8699
            29  C1y C    27.1321  -10.5699
            30  C1x C    28.3446   -9.8699
            31  C1z C    28.3446   -8.4700
            32  O2x O    27.1321   -7.7700
            33  C1a C    24.6925  -10.5785
            34  O1a O    27.1321  -12.8097
            35  C1z C    29.0446   -9.6825
            36  C1y C    30.4140   -9.3914
            37  C1y C    30.5603   -7.9991
            38  O2x O    29.2814   -7.4296
            39  C1a C    29.0322  -11.1748
            40  C1a C    30.0369  -11.0348
            41  O2b O    31.9897  -10.6564
            42  P1b P    33.1196  -11.7863
            43  O1c O    34.1096  -12.7763
            44  O1c O    31.9197  -12.8463
            45  O1c O    34.3196  -10.7264
            46  C1c C    31.8024   -7.2800
            47  C1b C    33.0149   -7.9800
            48  C1c C    34.2273   -7.2800
            49  C1c C    35.4397   -7.9800
            50  C1c C    36.6522   -7.2800
            51  C1c C    37.8646   -7.9800
            52  C2b C    39.0770   -7.2800
            53  C2c C    40.2895   -7.9800
            54  C2c C    41.5019   -7.2800
            55  C2b C    42.7144   -7.9800
            56  C2b C    43.9268   -7.2800
            57  C2b C    45.1392   -7.9800
            58  C2c C    46.3517   -7.2800
            59  O2a O    31.8016   -5.8802
            60  C1a C    30.5726   -5.1714
            61  O1a O    34.2273   -5.8800
            62  C1a C    35.4397   -9.3799
            63  O1a O    36.6522   -5.8800
            64  C1a C    37.8646   -9.3800
            65  C1a C    40.2895   -9.3800
            66  C1a C    41.5019   -5.8800
            67  C2b C    47.5553   -7.9750
            68  C1a C    46.3517   -5.8800
            69  C3b C    47.5553   -9.3750
            70  N3a N    47.5553  -10.7750
BOND        72
            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    1  12 1
            12    3  13 1 #Up
            13   13  14 1
            14   13  15 1
            15    4  16 1 #Down
            16    5  17 1 #Up
            17    6  18 2
            18   10  19 1 #Down
            19   11  20 1
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   11  23 2
            24   22  24 1
            25   24  25 2
            26   25  26 1
            27   27  26 1 #Down
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   27  32 1
            34   28  33 1 #Down
            35   29  34 1 #Up
            36   31  35 1
            37   35  36 1
            38   36  37 1
            39   37  38 1
            40   31  38 1 #Up
            41   35  39 1
            42   35  40 1
            43   36  41 1 #Down
            44   41  42 1
            45   42  43 2
            46   42  44 1
            47   42  45 1
            48   37  46 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   49  50 1
            53   50  51 1
            54   51  52 1
            55   52  53 2
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 2
            60   57  58 1
            61   46  59 1 #Up
            62   59  60 1
            63   48  61 1 #Down
            64   49  62 1 #Up
            65   50  63 1 #Down
            66   51  64 1 #Up
            67   53  65 1
            68   54  66 1
            69   58  67 2
            70   58  68 1
            71   67  69 1
            72   69  70 3

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