KEGG   COMPOUND: C11609
Entry
C11609                      Compound                               
Name
Nigericin
Formula
C40H68O11
Exact mass
724.4762
Mol weight
724.96
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK09 Polyether antibiotics
   C11609  Nigericin
Other DBs
CAS: 28380-24-7
PubChem: 13774
ChEBI: 7569
KNApSAcK: C00018750
NIKKAJI: J19.064K
LinkDB
KCF data

ATOM        51
            1   C1y C    18.3404  -21.3002
            2   C1c C    17.6650  -22.4698
            3   C6a C    16.3056  -22.4698
            4   C1a C    18.3288  -23.6382
            5   O6a O    15.6172  -23.6382
            6   O6a O    15.3446  -21.5017
            7   C1z C    24.4428  -17.8038
            8   O2x O    25.7835  -18.8183
            9   O2x O    23.7599  -18.9661
            10  C1y C    25.1123  -16.6228
            11  C1y C    23.7659  -16.6285
            12  C1z C    27.1358  -17.7979
            13  C1y C    22.4135  -18.9604
            14  C1x C    26.4660  -16.6228
            15  C1y C    22.4251  -16.6285
            16  C1y C    28.4892  -17.7979
            17  C1a C    27.7297  -16.2849
            18  C1b C    21.7310  -20.1357
            19  C1x C    21.7426  -17.7979
            20  O2a O    21.7367  -15.4486
            21  O2x O    29.8836  -18.8183
            22  C1x C    29.1590  -16.6168
            23  C1z C    31.1951  -17.7862
            24  C1x C    30.5126  -16.6168
            25  C1y C    32.5417  -17.7862
            26  C1a C    31.2933  -16.4711
            27  O2x O    33.9244  -18.7472
            28  C1y C    35.2348  -17.7736
            29  C1x C    34.5590  -16.6111
            30  C1a C    32.5301  -15.4299
            31  C1y C    36.5883  -17.7736
            32  O2x O    37.2521  -18.9487
            33  C1y C    37.2708  -16.6111
            34  C1z C    38.6058  -18.9546
            35  C1x C    38.6115  -16.6168
            36  C1a C    36.5825  -15.4299
            37  C1y C    39.2813  -17.7922
            38  C1b C    39.9942  -18.9487
            39  O1a O    38.5998  -20.3372
            40  C1a C    40.6406  -17.7862
            41  O1a O    40.6884  -20.1473
            42  C1y C    20.3786  -20.1323
            43  C1x C    19.7056  -18.9567
            44  C1x C    18.3532  -18.9535
            45  C1y C    17.6707  -20.1286
            46  O2x O    19.6999  -21.3036
            47  C1a C    16.3113  -20.1254
            48  C1y C    33.1969  -16.5993
            49  C1a C    24.4365  -15.4522
            50  C1a C    25.7143  -15.4444
            51  C1a C    20.3643  -15.4512
BOND        56
            1    13  19 1
            2    15  20 1 #Up
            3    16  21 1
            4    16  22 1
            5    21  23 1
            6    22  24 1
            7    23  25 1
            8    23  26 1 #Down
            9    25  27 1
            10   25  48 1
            11   27  28 1
            12   48  29 1
            13   48  30 1 #Up
            14   28  31 1
            15   31  32 1
            16   31  33 1
            17   32  34 1
            18   33  35 1
            19   33  36 1 #Up
            20   34  37 1
            21   34  38 1 #Down
            22   34  39 1 #Up
            23   37  40 1 #Up
            24   38  41 1
            25   12  14 1
            26   15  19 1
            27   23  24 1
            28   28  29 1
            29   35  37 1
            30   11  49 1 #Up
            31    3   6 2
            32   18  42 1
            33    1   2 1
            34    2   3 1
            35    2   4 1 #Up
            36   42  43 1
            37   43  44 1
            38   44  45 1
            39   45   1 1
            40    1  46 1
            41   46  42 1
            42    3   5 1
            43   45  47 1 #Up
            44    7   8 1 #Up
            45    7   9 1
            46    7  10 1
            47    7  11 1
            48    8  12 1
            49    9  13 1
            50   10  14 1
            51   11  15 1
            52   12  16 1
            53   12  17 1 #Down
            54   10  50 1 #Down
            55   13  18 1
            56   20  51 1

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