KEGG   COMPOUND: C11984Help
Entry
C11984                      Compound                               

Name
Avermectin A1a
Formula
C49H74O14
Exact mass
886.5079
Mol weight
887.1035
Structure
Mol fileKCF fileDB search
Sequence
0 2mk  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
Actinomycetes; Streptomyces avermitilis [GN:sma]
  Type
PK
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
map01052  Type I polyketide structures
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
   C11984  Avermectin A1a
BRITE hierarchy
Other DBs
CAS: 65195-51-9
PubChem: 14145
ChEBI: 29522
ChEMBL: CHEMBL267790
LIPIDMAPS: LMPK04000025
3DMET: B05601
NIKKAJI: J91.849K
KCF data Show

ATOM        63
            1   C1y C    18.0716  -15.5543
            2   C1y C    18.0716  -16.9425
            3   C1y C    19.2728  -17.6422
            4   C1x C    20.4742  -16.9425
            5   C1y C    20.4742  -15.5543
            6   O2x O    19.2728  -14.8655
            7   C1a C    16.8702  -14.8582
            8   O2a O    19.2728  -19.0307
            9   O1a O    16.8678  -17.6344
            10  C1a C    20.4752  -19.7247
            11  C1z C    34.9637  -12.7883
            12  O2x O    36.0854  -13.4770
            13  C1y C    37.2776  -12.7894
            14  C1y C    37.2782  -11.4132
            15  C2x C    36.0867  -10.7245
            16  C2x C    34.9642  -11.4119
            17  C1x C    31.2958  -12.0996
            18  C2x C    30.0944  -12.7883
            19  C2y C    28.8922  -12.0941
            20  C1y C    27.6897  -12.7883
            21  C1y C    27.6897  -14.1768
            22  C1y C    32.4969  -12.7883
            23  C1x C    34.8958  -14.1870
            24  O2x O    33.7023  -12.0993
            25  C1y C    33.6905  -14.8760
            26  C1x C    32.4985  -14.1792
            27  O7x O    33.6828  -16.2566
            28  C2x C    28.8953  -14.8689
            29  C2x C    28.8953  -16.2535
            30  C2x C    30.0925  -16.9380
            31  C2y C    30.0849  -18.3205
            32  C7x C    32.4867  -16.9514
            33  C1y C    32.4791  -18.3336
            34  C1z C    31.2826  -19.0131
            35  C1y C    31.2732  -20.3888
            36  C1y C    32.4597  -21.0851
            37  C2y C    33.6558  -20.4056
            38  C2x C    33.6655  -19.0297
            39  C1a C    28.8922  -10.7056
            40  O2a O    26.4872  -12.0941
            41  C1a C    26.4880  -15.1524
            42  C1x C    28.8804  -19.0108
            43  O1a O    31.3343  -17.6205
            44  O2a O    32.4499  -22.4733
            45  C1a C    34.8533  -21.1082
            46  O6a O    31.2853  -16.2553
            47  C1a C    38.4809  -10.7195
            48  C1c C    38.4796  -13.4841
            49  C1a C    38.4790  -14.8726
            50  C1b C    39.6823  -12.7907
            51  C1a C    40.8845  -13.4854
            52  O2x O    28.8591  -20.3972
            53  C1a C    33.6474  -23.1760
            54  C1y C    22.8817  -12.7883
            55  C1y C    22.8817  -14.1768
            56  C1y C    24.0828  -14.8763
            57  C1x C    25.2843  -14.1768
            58  C1y C    25.2843  -12.7883
            59  O2x O    24.0828  -12.0996
            60  C1a C    21.6803  -12.0922
            61  O2a O    24.0828  -16.2648
            62  O2a O    21.6779  -14.8687
            63  C1a C    25.2853  -16.9590
BOND        69
            1    15  16 2
            2    30  31 2
            3    31  34 1
            4    33  32 1 #Down
            5    11  16 1 #Up
            6     3   8 1 #Down
            7    22  17 1 #Up
            8    17  18 1
            9     2   3 1
            10    2   9 1 #Up
            11   33  34 1
            12   34  35 1
            13   35  36 1
            14   36  37 1
            15   37  38 2
            16   38  33 1
            17    3   4 1
            18   19  39 1
            19    8  10 1
            20   20  40 1 #Down
            21   18  19 2
            22   21  41 1 #Down
            23   19  20 1
            24   31  42 1
            25   20  21 1
            26   34  43 1 #Down
            27   21  28 1
            28   36  44 1 #Up
            29    4   5 1
            30   37  45 1
            31    5   6 1
            32   32  46 2
            33    6   1 1
            34   14  47 1 #Down
            35   22  26 1
            36   13  48 1 #Up
            37   25  23 1
            38   48  49 1
            39   23  11 1
            40   48  50 1
            41   11  24 1
            42   50  51 1
            43   24  22 1
            44   42  52 1
            45   35  52 1
            46   44  53 1
            47    1   7 1 #Down
            48    1   2 1
            49   25  26 1
            50   32  27 1
            51   25  27 1 #Up
            52   11  12 1 #Down
            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   12  13 1
            60   54  60 1 #Down
            61   28  29 2
            62   56  61 1 #Down
            63   29  30 1
            64   55  62 1 #Up
            65   13  14 1
            66   61  63 1
            67   58  40 1 #Up
            68   14  15 1
            69    5  62 1 #Up

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