KEGG   COMPOUND: C11957
Entry
C11957                      Compound                               
Name
Avermectin B2b monosaccharide
Formula
C40H60O12
Exact mass
732.4085
Mol weight
732.8972
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
   C11957  Avermectin B2b monosaccharide
Other DBs
PubChem: 14118
ChEBI: 29545
NIKKAJI: J2.778.583B
LinkDB
KCF data

ATOM        52
            1   C1z C    29.8915  -12.7379
            2   O2x O    31.0828  -13.4263
            3   C1y C    32.2746  -12.7389
            4   C1y C    32.2751  -11.3630
            5   C1y C    31.0842  -10.6745
            6   C1x C    29.8921  -11.3620
            7   C1x C    26.2949  -12.0494
            8   C2x C    25.0940  -12.7379
            9   C2y C    23.8923  -12.0439
            10  C1y C    22.6902  -12.7379
            11  C1y C    22.6902  -14.1256
            12  C1y C    27.4957  -12.7379
            13  C1x C    29.8936  -14.1358
            14  O2x O    28.7005  -12.0489
            15  C1y C    28.6887  -14.8248
            16  C1x C    27.4973  -14.1279
            17  O7x O    28.6811  -16.2049
            18  C2x C    23.8954  -14.8174
            19  C2x C    23.8954  -16.2015
            20  C2x C    25.0921  -16.8860
            21  C2y C    25.0845  -18.2677
            22  C7x C    27.4855  -16.8991
            23  C1y C    27.4779  -18.2811
            24  C1z C    26.2819  -18.9601
            25  C1y C    26.2724  -20.3355
            26  C1y C    27.4584  -21.0313
            27  C2y C    28.6541  -20.3521
            28  C2x C    28.6638  -18.9770
            29  C1a C    23.8923  -10.6559
            30  O2a O    21.4882  -12.0439
            31  C1a C    21.6292  -14.9613
            32  C1x C    23.8805  -18.9580
            33  O1a O    26.4736  -17.5679
            34  O1a O    27.4487  -22.4193
            35  C1a C    29.8511  -21.0544
            36  O6a O    26.2845  -16.2036
            37  C1a C    33.4774  -10.6698
            38  C1c C    33.4761  -13.4334
            39  C1a C    33.4756  -14.8214
            40  C1a C    34.6783  -12.7400
            41  O2x O    23.9293  -20.3439
            42  C1y C    17.8950  -12.7379
            43  C1y C    17.8950  -14.1256
            44  C1y C    19.0957  -14.8250
            45  C1x C    20.2967  -14.1256
            46  C1y C    20.2967  -12.7379
            47  O2x O    19.0957  -12.0494
            48  C1a C    16.6941  -12.0421
            49  O2a O    19.0957  -16.2131
            50  O1a O    16.6917  -14.8172
            51  C1a C    20.2978  -16.9071
            52  O1a O    31.0847   -9.2868
BOND        57
            1    12  16 1
            2    23  24 1
            3    24  25 1
            4    25  26 1
            5    26  27 1
            6    27  28 2
            7    28  23 1
            8    15  13 1
            9     9  29 1
            10   13   1 1
            11   10  30 1 #Down
            12    1  14 1
            13   11  31 1 #Down
            14   14  12 1
            15   21  32 1
            16   12   7 1 #Up
            17   24  33 1 #Down
            18    7   8 1
            19   26  34 1 #Up
            20    1   2 1 #Down
            21   27  35 1
            22   15  16 1
            23   22  36 2
            24   22  17 1
            25    4  37 1 #Down
            26   15  17 1 #Up
            27    3  38 1 #Up
            28    2   3 1
            29   38  39 1
            30    3   4 1
            31   38  40 1
            32   18  19 2
            33   32  41 1
            34   25  41 1
            35   19  20 1
            36    4   5 1
            37    8   9 2
            38    9  10 1
            39   20  21 2
            40   21  24 1
            41   42  43 1
            42   43  44 1
            43   44  45 1
            44   45  46 1
            45   46  47 1
            46   47  42 1
            47   23  22 1 #Down
            48   42  48 1 #Down
            49   10  11 1
            50   44  49 1 #Down
            51   11  18 1
            52   43  50 1 #Up
            53    5   6 1
            54   49  51 1
            55   46  30 1 #Up
            56    1   6 1 #Up
            57    5  52 1 #Down

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