KEGG   COMPOUND: C12156
Entry
C12156                      Compound                               

Name
Nystatin A3
Formula
C53H85NO20
Exact mass
1055.5665
Mol weight
1056.2367
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK06 Plyenes
   C12156  Nystatin A3
Other DBs
CAS: 62997-67-5
PubChem: 14303
ChEBI: 31927
LIPIDMAPS: LMPK06000005
3DMET: B05608
NIKKAJI: J442.537E
KCF data

ATOM        74
            1   O2x O    37.7665  -13.7544
            2   C1y C    36.5487  -13.0529
            3   C1y C    38.9772  -13.0529
            4   C1y C    36.5428  -11.6504
            5   C1y C    38.9772  -11.6504
            6   C1y C    37.7665  -10.9490
            7   O1a O    35.3322  -10.9549
            8   O1a O    40.1878  -10.9490
            9   N1a N    37.7665   -9.5465
            10  O2a O    35.3388  -13.7558
            11  C1a C    40.1895  -13.7515
            12  C1x C    13.5272  -17.8993
            13  C1y C    12.3116  -18.5919
            14  C1y C    12.3037  -19.9908
            15  C1y C    13.5113  -20.6973
            16  O2x O    14.7268  -20.0047
            17  C1y C    14.7348  -18.6057
            18  O2a O    15.9487  -17.9098
            19  C1a C    13.5033  -22.0965
            20  O1a O    11.0866  -20.6767
            21  O1a O    11.0937  -17.8853
            22  C1y C    36.5437  -17.2566
            23  C1y C    37.7614  -17.9637
            24  O2x O    35.3213  -17.9579
            25  C1b C    36.5437  -15.8597
            26  C1y C    37.7614  -19.3606
            27  C6a C    38.9779  -17.2624
            28  C1z C    35.3213  -19.3606
            29  C1c C    35.3330  -15.1584
            30  C1x C    36.5437  -20.0619
            31  O1a O    38.9719  -20.0677
            32  C1b C    34.1164  -20.0560
            33  O1a O    35.3154  -20.7632
            34  C2b C    34.1281  -15.8480
            35  C1c C    32.9058  -19.3548
            36  C2b C    32.9175  -15.1526
            37  C1c C    31.6880  -20.0502
            38  O1a O    32.9058  -17.9520
            39  C2b C    31.7068  -15.8350
            40  C1b C    30.4773  -19.3489
            41  C2b C    30.4890  -15.1338
            42  C1b C    29.2669  -20.0443
            43  C2b C    29.2784  -15.8292
            44  C1c C    28.0620  -19.3360
            45  C2b C    28.0737  -15.1279
            46  C1b C    26.8444  -20.0314
            47  C2b C    26.8630  -15.8233
            48  C1c C    25.6337  -19.3301
            49  C2b C    25.6454  -15.1221
            50  C1b C    24.4231  -20.0254
            51  O1a O    25.6337  -17.9274
            52  C1b C    24.4348  -15.8175
            53  C1c C    23.2124  -19.3243
            54  C1b C    23.2241  -15.1162
            55  C1b C    22.0006  -20.0197
            56  O1a O    23.2184  -17.9215
            57  C2b C    22.0194  -15.8117
            58  C7a C    20.7899  -19.3184
            59  C2b C    20.7957  -15.1104
            60  O7a O    19.5793  -20.0137
            61  O6a O    20.7899  -18.3357
            62  C2b C    19.5852  -15.8058
            63  C1c C    18.3686  -19.3126
            64  C2b C    18.3746  -15.1045
            65  C1c C    18.3686  -17.9098
            66  C1a C    17.1509  -20.0137
            67  C1c C    17.1509  -15.8058
            68  C1c C    17.1509  -17.2084
            69  C1a C    19.5852  -17.2084
            70  C1a C    15.9487  -15.1045
            71  O1a O    28.0708  -17.9367
            72  O6a O    38.9785  -15.8631
            73  O6a O    40.1892  -17.9627
            74  O1a O    31.6838  -21.4495
BOND        77
            1     3   5 1
            2     2  10 1 #Up
            3    13  14 1
            4    14  15 1
            5    15  16 1
            6    16  17 1
            7    17  12 1
            8    12  13 1
            9    18  17 1
            10   15  19 1 #Up
            11   14  20 1 #Down
            12   13  21 1 #Down
            13    3  11 1 #Up
            14    4   6 1
            15    4   7 1 #Up
            16    5   8 1 #Down
            17   22  23 1
            18   22  24 1
            19   22  25 1
            20   23  26 1
            21   23  27 1 #Down
            22   24  28 1
            23   25  29 1
            24   26  30 1
            25   26  31 1 #Up
            26   28  32 1
            27   28  33 1 #Down
            28   29  10 1 #Down
            29   29  34 1
            30   32  35 1
            31   34  36 2
            32   35  37 1
            33   35  38 1 #Down
            34   36  39 1
            35   37  40 1
            36   39  41 2
            37   40  42 1
            38   41  43 1
            39   42  44 1
            40   43  45 2
            41   44  46 1
            42   45  47 1
            43   46  48 1
            44   47  49 2
            45   48  50 1
            46   48  51 1 #Down
            47   49  52 1
            48   50  53 1
            49   52  54 1
            50   53  55 1
            51   53  56 1 #Down
            52   54  57 1
            53   55  58 1
            54   57  59 2
            55   58  60 1
            56   58  61 2
            57   59  62 1
            58   60  63 1
            59   62  64 2
            60   63  65 1
            61   63  66 1 #Up
            62   64  67 1
            63   65  68 1
            64   65  69 1 #Up
            65   67  70 1 #Up
            66   68  18 1 #Down
            67   28  30 1
            68   67  68 1
            69    6   9 1 #Up
            70    5   6 1
            71   44  71 1 #Down
            72    1   2 1
            73   27  72 1
            74    1   3 1
            75   27  73 2
            76    2   4 1
            77   37  74 1 #Down

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