KEGG   COMPOUND: C11983Help
Entry
C11983                      Compound                               

Name
Avermectin B1a
Formula
C48H72O14
Exact mass
872.4922
Mol weight
873.0769
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00777  Avermectin biosynthesis, 2-methylbutanoyl-CoA/isobutyryl-CoA => 6,8a-Seco-6,8a-deoxy-5-oxoavermectin 1a/1b aglycone => avermectin A1a/B1a/A1b/B1b
Enzyme
2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C11983  Avermectin B1a
BRITE hierarchy
Other DBs
CAS: 65195-55-3
PubChem: 14144
ChEBI: 29534
ChEMBL: CHEMBL1630577 CHEMBL80025
LIPIDMAPS: LMPK04000024
3DMET: B05600
NIKKAJI: J33.374C
LinkDB All DBs
KCF data Show

ATOM        62
            1   C1y C    18.0978  -15.8836
            2   C1y C    18.0978  -17.2707
            3   C1y C    19.2979  -17.9699
            4   C1x C    20.4981  -17.2707
            5   C1y C    20.4981  -15.8836
            6   O2x O    19.2979  -15.1957
            7   C1a C    16.8977  -15.1886
            8   O2a O    19.2979  -19.3567
            9   O1a O    16.8954  -17.9620
            10  C1a C    20.4992  -20.0503
            11  C1z C    34.8925  -13.1207
            12  O2x O    36.0829  -13.8088
            13  C1y C    37.2740  -13.1218
            14  C1y C    37.2747  -11.7467
            15  C2x C    36.0842  -11.0586
            16  C2x C    34.8931  -11.7457
            17  C1x C    31.2983  -12.4326
            18  C2x C    30.0980  -13.1207
            19  C2y C    28.8968  -12.4271
            20  C1y C    27.6958  -13.1207
            21  C1y C    27.6958  -14.5075
            22  C1y C    32.4982  -13.1207
            23  C1x C    34.8946  -14.5178
            24  O2x O    33.7023  -12.4321
            25  C1y C    33.6905  -15.2064
            26  C1x C    32.4998  -14.5099
            27  O7x O    33.6829  -16.5856
            28  C2x C    28.9002  -15.1991
            29  C2x C    28.8999  -16.5822
            30  C2x C    30.0959  -17.2663
            31  C2y C    30.0883  -18.6471
            32  C7x C    32.4877  -17.2794
            33  C1y C    32.4801  -18.6604
            34  C1z C    31.2852  -19.3391
            35  C1y C    31.2755  -20.7135
            36  C1y C    32.4610  -21.4090
            37  C2y C    33.6559  -20.7301
            38  C2x C    33.6656  -19.3559
            39  C1a C    28.8968  -11.0400
            40  O2a O    26.4944  -12.4271
            41  C1a C    26.4952  -15.3424
            42  C1x C    28.8852  -19.3370
            43  O1a O    31.3364  -18.2278
            44  O1a O    32.4513  -22.7962
            45  C1a C    34.8522  -21.4321
            46  O6a O    31.3578  -16.3743
            47  C1a C    38.4761  -11.0539
            48  C1c C    38.4748  -13.8157
            49  C1a C    38.4740  -15.2030
            50  C1b C    39.6764  -13.1228
            51  C1a C    40.8771  -13.8168
            52  O2x O    28.8640  -20.7219
            53  C1y C    22.9032  -13.1207
            54  C1y C    22.9032  -14.5075
            55  C1y C    24.1034  -15.2067
            56  C1x C    25.3034  -14.5075
            57  C1y C    25.3034  -13.1207
            58  O2x O    24.1034  -12.4326
            59  C1a C    21.7033  -12.4253
            60  O2a O    24.1034  -16.5937
            61  O2a O    21.7010  -15.1988
            62  C1a C    25.3048  -17.2870
BOND        68
            1    14  15 1
            2    15  16 2
            3    30  31 2
            4    31  34 1
            5    33  32 1 #Down
            6    11  16 1 #Up
            7     3   8 1 #Down
            8    22  17 1 #Up
            9    17  18 1
            10    2   3 1
            11    2   9 1 #Up
            12   33  34 1
            13   34  35 1
            14   35  36 1
            15   36  37 1
            16   37  38 2
            17   38  33 1
            18    3   4 1
            19   19  39 1
            20    8  10 1
            21   20  40 1 #Down
            22   18  19 2
            23   21  41 1 #Down
            24   19  20 1
            25   31  42 1
            26   20  21 1
            27   34  43 1 #Down
            28   21  28 1
            29   36  44 1 #Up
            30    4   5 1
            31   37  45 1
            32    5   6 1
            33   32  46 2
            34    6   1 1
            35   14  47 1 #Down
            36   22  26 1
            37   13  48 1 #Up
            38   25  23 1
            39   48  49 1
            40   23  11 1
            41   48  50 1
            42   11  24 1
            43   50  51 1
            44   24  22 1
            45   42  52 1
            46   35  52 1
            47    1   7 1 #Down
            48    1   2 1
            49   25  26 1
            50   32  27 1
            51   25  27 1 #Up
            52   53  54 1
            53   54  55 1
            54   55  56 1
            55   56  57 1
            56   57  58 1
            57   58  53 1
            58   11  12 1 #Down
            59   53  59 1 #Down
            60   12  13 1
            61   55  60 1 #Down
            62   28  29 2
            63   54  61 1 #Up
            64   29  30 1
            65   60  62 1
            66   57  40 1 #Up
            67   13  14 1
            68    5  61 1 #Up

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