KEGG   COMPOUND: C11959
Entry
C11959                      Compound                               
Name
Avermectin B2b
Formula
C47H72O15
Exact mass
876.4871
Mol weight
877.0656
Structure
Sequence
0 Isk  1 Mtd  2 Man  3 Mak  4 Mak  5 Mad  6 Mtk  7 Mtd  8 Mad
9 Mtn  10 Man  11 Mtd  12 Man
  Gene
0-2 aveA1 [sma:SAV_938]; 3-6 aveA2 [sma:SAV_939]; 7-9 aveA3
[sma:SAV_942]; 10-12 aveA4 [sma:SAV_943]
  Organism
Streptomyces avermitilis [GN:sma]
  Type
PK
Reaction
R06493
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
   C11959  Avermectin B2b
Other DBs
CAS: 65195-58-6
PubChem: 14120
ChEBI: 29543
LIPIDMAPS: LMPK04000018
NIKKAJI: J91.852K
LinkDB
KCF data

ATOM        62
            1   C1z C    31.4394  -14.3710
            2   O2x O    32.6309  -15.0597
            3   C1y C    33.8231  -14.3721
            4   C1y C    33.8239  -12.9959
            5   C1y C    32.6322  -12.3072
            6   C1x C    31.4400  -12.9946
            7   C1x C    27.8416  -13.6823
            8   C2x C    26.6402  -14.3710
            9   C2y C    25.4378  -13.6768
            10  C1y C    24.2356  -14.3710
            11  C1y C    24.2356  -15.7595
            12  C1y C    29.0427  -14.3710
            13  C1x C    31.4415  -15.7697
            14  O2x O    30.2480  -13.6820
            15  C1y C    30.2362  -16.4587
            16  C1x C    29.0443  -15.7618
            17  O7x O    30.2286  -17.8393
            18  C2x C    25.4412  -16.4516
            19  C2x C    25.4409  -17.8361
            20  C2x C    26.5681  -18.5206
            21  C2y C    26.6305  -19.9031
            22  C7x C    29.0322  -18.5340
            23  C1y C    29.0246  -19.9162
            24  C1z C    27.8285  -20.5957
            25  C1y C    27.8888  -21.9713
            26  C1y C    29.0054  -22.6674
            27  C2y C    30.2716  -21.9881
            28  C2x C    30.2113  -20.6122
            29  C1a C    25.4378  -12.2886
            30  O2a O    23.0332  -13.6768
            31  C1a C    23.1039  -16.6650
            32  C1x C    25.4262  -20.5934
            33  O1a O    27.9498  -19.2031
            34  O1a O    29.0657  -24.0558
            35  C1a C    31.3990  -22.6907
            36  O6a O    27.8311  -17.8380
            37  C1a C    35.0265  -12.3022
            38  C1c C    35.0252  -15.0668
            39  C1a C    35.0244  -16.4553
            40  C1a C    36.2279  -14.3734
            41  O2x O    25.4050  -21.9797
            42  C1y C    19.4384  -14.3710
            43  C1y C    19.4384  -15.7595
            44  C1y C    20.6398  -16.4589
            45  C1x C    21.8409  -15.7595
            46  C1y C    21.8409  -14.3710
            47  O2x O    20.6398  -13.6823
            48  C1a C    18.2373  -13.6750
            49  O2a O    20.6398  -17.8474
            50  O2a O    18.2350  -16.4513
            51  C1a C    21.8423  -18.5416
            52  O1a O    32.6330  -10.9188
            53  C1y C    14.6284  -17.1369
            54  C1y C    14.6284  -18.5251
            55  C1y C    15.8296  -19.2248
            56  C1x C    17.0309  -18.5251
            57  C1y C    17.0309  -17.1369
            58  O2x O    15.8296  -16.4482
            59  C1a C    13.4270  -16.4408
            60  O2a O    15.8296  -20.6133
            61  O1a O    13.4247  -19.2170
            62  C1a C    17.0320  -21.3075
BOND        68
            1    10  30 1 #Down
            2     1  14 1
            3    11  31 1 #Down
            4    14  12 1
            5    21  32 1
            6    12   7 1 #Up
            7    24  33 1 #Down
            8     7   8 1
            9    26  34 1 #Up
            10    1   2 1 #Down
            11   27  35 1
            12   15  16 1
            13   22  36 2
            14   22  17 1
            15    4  37 1 #Down
            16   15  17 1 #Up
            17    3  38 1 #Up
            18    2   3 1
            19   38  39 1
            20    3   4 1
            21   38  40 1
            22   18  19 2
            23   32  41 1
            24   25  41 1
            25   19  20 1
            26    4   5 1
            27    8   9 2
            28    9  10 1
            29   20  21 2
            30   21  24 1
            31   42  43 1
            32   43  44 1
            33   44  45 1
            34   45  46 1
            35   46  47 1
            36   47  42 1
            37   23  22 1 #Down
            38   42  48 1 #Down
            39   10  11 1
            40   44  49 1 #Down
            41   11  18 1
            42   43  50 1 #Up
            43    5   6 1
            44   49  51 1
            45   46  30 1 #Up
            46    1   6 1 #Up
            47    5  52 1 #Down
            48   57  50 1 #Up
            49   12  16 1
            50   23  24 1
            51   24  25 1
            52   25  26 1
            53   26  27 1
            54   27  28 2
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   57  58 1
            60   58  53 1
            61   28  23 1
            62   53  59 1 #Down
            63   15  13 1
            64   55  60 1 #Down
            65    9  29 1
            66   54  61 1 #Up
            67   13   1 1
            68   60  62 1

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