KEGG   COMPOUND: C11958
Entry
C11958                      Compound                               
Name
Avermectin A2b monosaccharide
Formula
C41H62O12
Exact mass
746.4241
Mol weight
746.9238
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
   C11958  Avermectin A2b monosaccharide
Other DBs
PubChem: 14119
ChEBI: 29533
NIKKAJI: J2.778.597B
LinkDB
KCF data

ATOM        53
            1   C1z C    32.2674  -16.1201
            2   O2x O    33.4572  -16.8077
            3   C1y C    34.6475  -16.1212
            4   C1y C    34.6483  -14.7472
            5   C1y C    33.4585  -14.0596
            6   C1x C    32.2682  -14.7459
            7   C1x C    28.6753  -15.4325
            8   C2x C    27.4761  -16.1201
            9   C2y C    26.2756  -15.4270
            10  C1y C    25.0751  -16.1201
            11  C1y C    25.0751  -17.5063
            12  C1y C    29.8748  -16.1201
            13  C1x C    32.2695  -17.5166
            14  O2x O    31.0782  -15.4322
            15  C1y C    31.0661  -18.2044
            16  C1x C    29.8763  -17.5087
            17  O7x O    31.0585  -19.5828
            18  C2x C    26.2787  -18.1974
            19  C2x C    26.2787  -19.5797
            20  C2x C    27.4740  -20.2631
            21  C2y C    27.4664  -21.6433
            22  C7x C    29.8643  -20.2765
            23  C1y C    29.8567  -21.6564
            24  C1z C    28.6625  -22.3349
            25  C1y C    28.6528  -23.7083
            26  C1y C    29.8373  -24.4035
            27  C2y C    31.0315  -23.7250
            28  C2x C    31.0412  -22.3514
            29  C1a C    26.2756  -14.0410
            30  O2a O    23.8748  -15.4270
            31  C1a C    24.0856  -18.3408
            32  C1x C    26.2638  -22.3325
            33  O1a O    28.7139  -20.9444
            34  O2a O    29.8276  -25.7894
            35  C1a C    32.2273  -24.4265
            36  O6a O    28.6648  -19.5815
            37  C1a C    35.8490  -14.0546
            38  C1c C    35.8477  -16.8148
            39  C1a C    35.8470  -18.2010
            40  C1a C    37.0485  -16.1225
            41  O2x O    26.2426  -23.7166
            42  C1a C    31.0232  -26.4909
            43  C1y C    20.2749  -16.1201
            44  C1y C    20.2749  -17.5063
            45  C1y C    21.4743  -18.2047
            46  C1x C    22.6735  -17.5063
            47  C1y C    22.6735  -16.1201
            48  O2x O    21.4743  -15.4325
            49  C1a C    19.0757  -15.4252
            50  O2a O    21.4743  -19.5909
            51  O1a O    19.0733  -18.1971
            52  C1a C    22.6748  -20.2841
            53  O1a O    33.4590  -12.6734
BOND        58
            1    23  24 1
            2    24  25 1
            3    25  26 1
            4    26  27 1
            5    27  28 2
            6    28  23 1
            7    15  13 1
            8     9  29 1
            9    13   1 1
            10   10  30 1 #Down
            11    1  14 1
            12   11  31 1 #Down
            13   14  12 1
            14   21  32 1
            15   12   7 1 #Up
            16   24  33 1 #Down
            17    7   8 1
            18   26  34 1 #Up
            19    1   2 1 #Down
            20   27  35 1
            21   15  16 1
            22   22  36 2
            23   22  17 1
            24    4  37 1 #Down
            25   15  17 1 #Up
            26    3  38 1 #Up
            27    2   3 1
            28   38  39 1
            29    3   4 1
            30   38  40 1
            31   18  19 2
            32   32  41 1
            33   25  41 1
            34   19  20 1
            35   34  42 1
            36    4   5 1
            37    8   9 2
            38    9  10 1
            39   20  21 2
            40   21  24 1
            41   23  22 1 #Down
            42   43  44 1
            43   44  45 1
            44   45  46 1
            45   46  47 1
            46   47  48 1
            47   48  43 1
            48   10  11 1
            49   43  49 1 #Down
            50   11  18 1
            51   45  50 1 #Down
            52    5   6 1
            53   44  51 1 #Up
            54    1   6 1 #Up
            55   50  52 1
            56   47  30 1 #Up
            57    5  53 1 #Down
            58   12  16 1

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