KEGG   COMPOUND: C11965Help
Entry
C11965                      Compound                               

Name
Avermectin B1b monosaccharide
Formula
C40H58O11
Exact mass
714.3979
Mol weight
714.8819
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.-
Other DBs
PubChem: 14126
ChEBI: 29539
ChEMBL: CHEMBL14831
NIKKAJI: J2.778.606E
LinkDB All DBs
KCF data Show

ATOM        51
            1   C1z C    32.2174  -15.7701
            2   O2x O    33.4069  -16.4575
            3   C1y C    34.5969  -15.7711
            4   C1y C    34.5977  -14.3975
            5   C2x C    33.4082  -13.7100
            6   C2x C    32.2181  -14.3962
            7   C1x C    28.6261  -15.0826
            8   C2x C    27.4272  -15.7701
            9   C2y C    26.2269  -15.0771
            10  C1y C    25.0267  -15.7701
            11  C1y C    25.0267  -17.1560
            12  C1y C    29.8253  -15.7701
            13  C1x C    32.2195  -17.1662
            14  O2x O    31.0284  -15.0823
            15  C1y C    31.0163  -17.8539
            16  C1x C    29.8268  -17.1583
            17  O7x O    31.0087  -19.2320
            18  C2x C    26.2301  -17.8468
            19  C2x C    26.2301  -19.2288
            20  C2x C    27.4251  -19.9121
            21  C2y C    27.4175  -21.2920
            22  C7x C    29.8148  -19.9254
            23  C1y C    29.8072  -21.3051
            24  C1z C    28.6133  -21.9834
            25  C1y C    28.6036  -23.3564
            26  C1y C    29.7878  -24.0512
            27  C2y C    30.9820  -23.3732
            28  C2x C    30.9915  -21.9999
            29  C1a C    26.2269  -13.6915
            30  O2a O    23.8265  -15.0771
            31  C1a C    23.8975  -17.9902
            32  C1x C    26.2151  -21.9810
            33  O1a O    28.7347  -20.5933
            34  O1a O    29.7781  -25.4371
            35  C1a C    32.1773  -24.0745
            36  O6a O    28.6156  -19.2307
            37  C1a C    35.7982  -13.7051
            38  C1c C    35.7969  -16.4646
            39  C1a C    35.7961  -17.8505
            40  C1a C    36.9973  -15.7724
            41  O2x O    26.2639  -23.3648
            42  C1y C    20.2386  -15.7701
            43  C1y C    20.2386  -17.1560
            44  C1y C    21.4375  -17.8542
            45  C1x C    22.6367  -17.1560
            46  C1y C    22.6367  -15.7701
            47  O2x O    21.4375  -15.0826
            48  C1a C    19.0394  -15.0753
            49  O2a O    21.4375  -19.2401
            50  O1a O    19.0370  -17.8466
            51  C1a C    22.6377  -19.9330
BOND        56
            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 2
            54   49  51 1
            55   46  30 1 #Up
            56    1   6 1 #Up

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