KEGG   COMPOUND: C12155
Entry
C12155                      Compound                               

Name
Nystatin A1
Formula
C47H75NO17
Exact mass
925.5035
Mol weight
926.0949
Structure
Pathway
map01052  Type I polyketide structures
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK06 Plyenes
   C12155  Nystatin A1
Other DBs
CAS: 34786-70-4
PubChem: 14302
ChEMBL: CHEMBL450895
LIPIDMAPS: LMPK06000004
3DMET: B04443
NIKKAJI: J9.845K
KCF data

ATOM        65
            1   O2x O    35.3086  -14.0682
            2   C1y C    34.0908  -13.3668
            3   C1y C    36.5192  -13.3668
            4   C1y C    34.0849  -11.9643
            5   C1y C    36.5192  -11.9643
            6   C1y C    35.3086  -11.2629
            7   O1a O    32.8743  -11.2688
            8   O1a O    37.7298  -11.2629
            9   N1a N    35.3086   -9.8604
            10  O2a O    32.8809  -14.0696
            11  C1a C    37.7315  -14.0654
            12  C1y C    34.0857  -17.5702
            13  C1y C    35.3033  -18.2774
            14  O2x O    32.8634  -18.2717
            15  C1b C    34.0857  -16.1735
            16  C1y C    35.3033  -19.6741
            17  C6a C    36.5197  -17.5759
            18  C1z C    32.8634  -19.6741
            19  C1c C    32.8751  -15.4720
            20  C1x C    34.0857  -20.3756
            21  O1a O    36.5138  -20.3813
            22  C1b C    31.6586  -20.3696
            23  O1a O    32.8575  -21.0769
            24  C2b C    31.6703  -16.1618
            25  C1c C    30.4480  -19.6683
            26  C2b C    30.4597  -15.4663
            27  C1c C    29.2302  -20.3639
            28  O1a O    30.4480  -18.2657
            29  C2b C    29.2490  -16.1487
            30  C1b C    28.0196  -19.6624
            31  C2b C    28.0313  -15.4476
            32  C1b C    26.8092  -20.3579
            33  C2b C    26.8207  -16.1430
            34  C1c C    25.6043  -19.6497
            35  C2b C    25.6160  -15.4417
            36  C1b C    24.3866  -20.3450
            37  C2b C    24.4054  -16.1370
            38  C1c C    23.1760  -19.6437
            39  C2b C    23.1877  -15.4359
            40  C1b C    21.9653  -20.3391
            41  O1a O    23.1760  -18.2411
            42  C1b C    21.9770  -16.1313
            43  C1c C    20.7547  -19.6380
            44  C1b C    20.7664  -15.4300
            45  C1b C    19.5431  -20.3333
            46  O1a O    20.7607  -18.2352
            47  C2b C    19.5617  -16.1255
            48  C7a C    18.3325  -19.6320
            49  C2b C    18.3382  -15.4242
            50  O7a O    17.1219  -20.3274
            51  O6a O    18.3325  -18.6494
            52  C2b C    17.1278  -16.1196
            53  C1c C    15.9112  -19.6263
            54  C2b C    15.9172  -15.4183
            55  C1c C    15.9112  -18.2235
            56  C1a C    14.6935  -20.3274
            57  C1c C    14.6935  -16.1196
            58  C1c C    14.6935  -17.5222
            59  C1a C    17.1278  -17.5222
            60  C1a C    13.4912  -15.4183
            61  O1a O    13.4912  -18.2235
            62  O1a O    25.6131  -18.2505
            63  O6a O    36.5205  -16.1767
            64  O6a O    37.7312  -18.2762
            65  O1a O    29.2258  -21.7631
BOND        67
            1     2   4 1
            2     3   5 1
            3     2  10 1 #Up
            4     3  11 1 #Up
            5     4   6 1
            6     4   7 1 #Up
            7    12  13 1
            8    12  14 1
            9    12  15 1
            10   13  16 1
            11   13  17 1 #Down
            12   14  18 1
            13   15  19 1
            14   16  20 1
            15   16  21 1 #Up
            16   18  22 1
            17   18  23 1 #Down
            18   19  10 1 #Down
            19   19  24 1
            20   22  25 1
            21   24  26 2
            22   25  27 1
            23   25  28 1 #Down
            24   26  29 1
            25   27  30 1
            26   29  31 2
            27   30  32 1
            28   31  33 1
            29   32  34 1
            30   33  35 2
            31   34  36 1
            32   35  37 1
            33   36  38 1
            34   37  39 2
            35   38  40 1
            36   38  41 1 #Down
            37   39  42 1
            38   40  43 1
            39   42  44 1
            40   43  45 1
            41   43  46 1 #Down
            42   44  47 1
            43   45  48 1
            44   47  49 2
            45   48  50 1
            46   48  51 2
            47   49  52 1
            48   50  53 1
            49   52  54 2
            50   53  55 1
            51   53  56 1 #Up
            52   54  57 1
            53   55  58 1
            54   55  59 1 #Up
            55   57  60 1 #Up
            56   58  61 1 #Down
            57   18  20 1
            58   57  58 1
            59    5   8 1 #Down
            60    6   9 1 #Up
            61   34  62 1 #Down
            62    5   6 1
            63   17  63 1
            64    1   2 1
            65   17  64 2
            66    1   3 1
            67   27  65 1 #Down

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