KEGG   COMPOUND: C11975
Entry
C11975                      Compound                               
Name
Avermectin B2a
Formula
C48H74O15
Exact mass
890.5028
Mol weight
891.0922
Structure
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
Enzyme
2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C11975  Avermectin B2a
Other DBs
CAS: 65195-57-5
PubChem: 14136
ChEBI: 29540
LIPIDMAPS: LMPK04000022
KNApSAcK: C00016540
3DMET: B05593
NIKKAJI: J33.376J
LinkDB
KCF data

ATOM        63
            1   C1y C    17.2110  -19.2240
            2   C1y C    17.2110  -20.6126
            3   C1y C    18.4125  -21.3124
            4   C1x C    19.6140  -20.6126
            5   C1y C    19.6140  -19.2240
            6   O2x O    18.4125  -18.5353
            7   C1a C    16.0098  -18.5279
            8   O2a O    18.4125  -22.7007
            9   O1a O    16.0074  -21.3045
            10  C1a C    19.6151  -23.3950
            11  O2a O    20.8152  -18.5279
            12  C1z C    34.0209  -16.4477
            13  O2x O    35.2127  -17.1365
            14  C1y C    36.4050  -16.4487
            15  C1y C    36.4058  -15.0722
            16  C1y C    35.2140  -14.3834
            17  C1x C    34.0217  -15.0712
            18  C1x C    30.4227  -15.7589
            19  C2x C    29.2215  -16.4477
            20  C2y C    28.0189  -15.7534
            21  C1y C    26.8164  -16.4477
            22  C1y C    26.8164  -17.8360
            23  C1y C    31.6242  -16.4477
            24  C1x C    34.0230  -17.8462
            25  O2x O    32.8296  -15.7584
            26  C1y C    32.8176  -18.5355
            27  C1x C    31.6258  -17.8383
            28  O7x O    32.8099  -19.9162
            29  C2x C    28.0221  -18.5282
            30  C2x C    28.0221  -19.9128
            31  C2x C    29.2194  -20.5977
            32  C2y C    29.2118  -21.9799
            33  C7x C    31.6137  -20.6108
            34  C1y C    31.6061  -21.9933
            35  C1z C    30.4099  -22.6726
            36  C1y C    30.4001  -24.0486
            37  C1y C    31.5867  -24.7448
            38  C2y C    32.7832  -24.0652
            39  C2x C    32.7926  -22.6894
            40  C1a C    28.0189  -14.3648
            41  O2a O    25.6141  -15.7534
            42  C1a C    25.7549  -18.6718
            43  C1x C    28.0071  -22.6705
            44  O1a O    30.4612  -21.2799
            45  O1a O    31.5770  -26.1333
            46  C1a C    33.9807  -24.7678
            47  O6a O    30.4122  -19.9149
            48  C1a C    37.6086  -14.3787
            49  C1c C    37.6072  -17.1435
            50  C1a C    37.6065  -18.5321
            51  C1b C    38.8101  -16.4498
            52  C1a C    40.0121  -17.1446
            53  O2x O    27.9859  -24.0570
            54  C1y C    22.0191  -16.4477
            55  C1y C    22.0191  -17.8360
            56  C1y C    23.2203  -18.5358
            57  C1x C    24.4218  -17.8360
            58  C1y C    24.4218  -16.4477
            59  O2x O    23.2203  -15.7589
            60  C1a C    20.8176  -15.7516
            61  O2a O    23.2203  -19.9244
            62  C1a C    24.4229  -20.6186
            63  O1a O    35.2145  -12.9951
BOND        69
            1    13  14 1
            2    14  15 1
            3    15  16 1
            4    31  32 2
            5    32  35 1
            6    34  33 1 #Down
            7    16  17 1
            8    12  17 1 #Up
            9     2   3 1
            10   23  18 1 #Up
            11   18  19 1
            12    2   9 1 #Up
            13   34  35 1
            14   35  36 1
            15   36  37 1
            16   37  38 1
            17   38  39 2
            18   39  34 1
            19    3   4 1
            20   20  40 1
            21    8  10 1
            22   21  41 1 #Down
            23    4   5 1
            24   22  42 1 #Down
            25   19  20 2
            26   32  43 1
            27   20  21 1
            28   35  44 1 #Down
            29   21  22 1
            30   37  45 1 #Up
            31   22  29 1
            32   38  46 1
            33    5  11 1 #Up
            34   33  47 2
            35    5   6 1
            36   15  48 1 #Down
            37    6   1 1
            38   14  49 1 #Up
            39   23  27 1
            40   49  50 1
            41   26  24 1
            42   49  51 1
            43   24  12 1
            44   51  52 1
            45   12  25 1
            46   43  53 1
            47   36  53 1
            48   25  23 1
            49    1   7 1 #Down
            50    1   2 1
            51   26  27 1
            52   33  28 1
            53   54  55 1
            54   55  56 1
            55   56  57 1
            56   57  58 1
            57   58  59 1
            58   59  54 1
            59   26  28 1 #Up
            60   54  60 1 #Down
            61    3   8 1 #Down
            62   56  61 1 #Down
            63   55  11 1 #Up
            64   12  13 1 #Down
            65   61  62 1
            66   58  41 1 #Up
            67   29  30 2
            68   16  63 1 #Down
            69   30  31 1

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