KEGG   COMPOUND: C01945Help
Entry
C01945                      Compound                               

Name
Okadaic acid
Formula
C44H68O13
Exact mass
804.466
Mol weight
805.0029
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: prorocentrum lima [TAX:39448]
PP1, PP2A inhibitor
Brite
Compounds with biological roles [BR:br08001]
 Marine nature products
  Others
   C01945  Okadaic acid
Natural toxins [BR:br08009]
 Marine biotoxins
  Diarrhetic shellfish poisoning; DSP
   Okadaic acid and derivatives
    C01945  Okadaic acid
BRITE hierarchy
Other DBs
CAS: 
78111-17-8
PubChem: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        57
            1   C1z C    17.8021  -20.5870
            2   O2x O    19.0276  -21.2669
            3   O2x O    16.6034  -19.8892
            4   C1y C    17.8021  -21.9824
            5   C2x C    17.8021  -19.1825
            6   C1y C    20.2263  -20.5600
            7   C1y C    15.3958  -20.5870
            8   C1x C    16.6034  -22.6802
            9   O1a O    19.0097  -22.6802
            10  C2y C    18.9918  -18.4759
            11  C1x C    20.2173  -19.1646
            12  C1c C    21.4427  -21.2490
            13  C1x C    15.3958  -21.9824
            14  C1b C    14.1792  -19.8892
            15  C1a C    18.9664  -17.1609
            16  C2b C    22.6415  -20.5333
            17  C1a C    21.4518  -22.6265
            18  C1d C    12.9716  -20.5870
            19  C2b C    23.8491  -21.2220
            20  C6a C    11.8714  -19.7283
            21  C1a C    12.2738  -21.7857
            22  O1a O    13.6694  -21.7857
            23  C1y C    25.0566  -20.5154
            24  O6a O    11.8893  -18.4401
            25  O6a O    10.4611  -20.8860
            26  O2x O    26.2733  -21.2041
            27  C1x C    25.4771  -19.0842
            28  C1z C    27.3646  -20.5333
            29  C1x C    26.9262  -19.0842
            30  O2x O    28.5722  -19.8355
            31  C1x C    27.3646  -21.9287
            32  C1y C    29.7798  -20.5333
            33  C1x C    28.5722  -22.6265
            34  C1y C    29.7798  -21.9287
            35  C1y C    30.9964  -19.8355
            36  O2x O    30.9964  -22.6265
            37  C2y C    32.1952  -20.5333
            38  O1a O    30.9964  -18.4401
            39  C1y C    32.1952  -21.9287
            40  C2a C    33.4027  -19.8355
            41  C1c C    33.4027  -22.6265
            42  C1b C    34.9413  -22.0003
            43  O1a O    33.4027  -24.0130
            44  C1c C    36.4350  -22.6265
            45  C1y C    37.6338  -21.9287
            46  C1a C    36.4350  -24.0130
            47  O2x O    38.8413  -22.6265
            48  C1y C    37.6338  -20.5333
            49  C1z C    40.0489  -21.9287
            50  C1x C    38.8413  -19.8355
            51  C1a C    36.4350  -19.8355
            52  C1x C    40.0489  -20.5333
            53  C1x C    40.0313  -23.2973
            54  O2x O    41.2476  -21.2132
            55  C1x C    41.2388  -23.9951
            56  C1x C    42.4464  -21.9108
            57  C1x C    42.4464  -23.3064
BOND        63
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14   10  15 1
            15   12  16 1
            16   12  17 1 #Up
            17   14  18 1
            18   16  19 2
            19   18  20 1
            20   18  21 1 #Down
            21   18  22 1 #Up
            22   19  23 1
            23   20  24 2
            24   20  25 1
            25   23  26 1
            26   23  27 1
            27   28  26 1 #Down
            28   27  29 1
            29   28  30 1
            30   28  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   32  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Down
            38   36  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   41  43 1 #Down
            43   42  44 1
            44   44  45 1
            45   44  46 1 #Up
            46   45  47 1
            47   45  48 1
            48   47  49 1
            49   48  50 1
            50   48  51 1 #Down
            51   49  52 1
            52   49  53 1 #Down
            53   49  54 1 #Up
            54   53  55 1
            55   54  56 1
            56   55  57 1
            57    8  13 1
            58   10  11 1
            59   28  29 1
            60   33  34 1
            61   37  39 1
            62   50  52 1
            63   56  57 1

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