KEGG   COMPOUND: C11982Help
Entry
C11982                      Compound                               

Name
Avermectin A1a monosaccharide
Formula
C42H62O11
Exact mass
742.4292
Mol weight
742.9351
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of 12-, 14- and 16-membered macrolides
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.-
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        53
            1   C1z C    31.6368  -15.3791
            2   O2x O    32.8265  -16.0667
            3   C1y C    34.0168  -15.3802
            4   C1y C    34.0176  -14.0062
            5   C2x C    32.8278  -13.3186
            6   C2x C    31.6375  -14.0049
            7   C1x C    28.0447  -14.6915
            8   C2x C    26.8454  -15.3791
            9   C2y C    25.6449  -14.6860
            10  C1y C    24.4444  -15.3791
            11  C1y C    24.4444  -16.7653
            12  C1y C    29.2441  -15.3791
            13  C1x C    31.6389  -16.7756
            14  O2x O    30.4475  -14.6912
            15  C1y C    30.4355  -17.4634
            16  C1x C    29.2457  -16.7677
            17  O7x O    30.4279  -18.8418
            18  C2x C    25.6481  -17.4564
            19  C2x C    25.6481  -18.8387
            20  C2x C    26.8434  -19.5221
            21  C2y C    26.8358  -20.9023
            22  C7x C    29.2336  -19.5355
            23  C1y C    29.2260  -20.9154
            24  C1z C    28.0318  -21.5939
            25  C1y C    28.0221  -22.9672
            26  C1y C    29.2067  -23.6625
            27  C2y C    30.4011  -22.9840
            28  C2x C    30.4106  -21.6104
            29  C1a C    25.6449  -13.2998
            30  O2a O    23.2439  -14.6860
            31  C1a C    23.3150  -17.6698
            32  C1x C    25.6331  -21.5915
            33  O1a O    28.1532  -20.2034
            34  O2a O    29.1970  -25.0484
            35  C1a C    31.5967  -23.6855
            36  O6a O    28.0342  -18.8405
            37  C1a C    35.2184  -13.3136
            38  C1c C    35.2171  -16.0738
            39  C1a C    35.2163  -17.4600
            40  C1b C    36.4179  -15.3815
            41  C1a C    37.6178  -16.0751
            42  O2x O    25.6119  -22.9756
            43  C1a C    30.3925  -25.7499
            44  C1y C    19.6442  -15.3791
            45  C1y C    19.6442  -16.7653
            46  C1y C    20.8437  -17.4637
            47  C1x C    22.0429  -16.7653
            48  C1y C    22.0429  -15.3791
            49  O2x O    20.8437  -14.6915
            50  C1a C    18.4450  -14.6842
            51  O2a O    20.8437  -18.8499
            52  O1a O    18.4426  -17.4561
            53  C1a C    22.0442  -19.5431
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   40  41 1
            33   19  20 1
            34   32  42 1
            35   25  42 1
            36    4   5 1
            37   34  43 1
            38    8   9 2
            39    9  10 1
            40   20  21 2
            41   21  24 1
            42   23  22 1 #Down
            43   10  11 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  44 1
            50   11  18 1
            51   44  50 1 #Down
            52    5   6 2
            53   46  51 1 #Down
            54    1   6 1 #Up
            55   45  52 1 #Up
            56   51  53 1
            57   48  30 1 #Up
            58   12  16 1

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