KEGG   COMPOUND: C11981Help
Entry
C11981                      Compound                               

Name
Avermectin B1a monosaccharide
Formula
C41H60O11
Exact mass
728.4136
Mol weight
728.9085
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: 14142
ChEBI: 29536
ChEMBL: CHEMBL314293
3DMET: B05598
NIKKAJI: J419.687B
KCF data Show

ATOM        52
            1   C1z C    31.5973  -15.7606
            2   O2x O    32.7870  -16.4481
            3   C1y C    33.9773  -15.7616
            4   C1y C    33.9778  -14.3875
            5   C2x C    32.7883  -13.6999
            6   C2x C    31.5979  -14.3865
            7   C1x C    28.0054  -15.0730
            8   C2x C    26.8061  -15.7606
            9   C2y C    25.6059  -15.0675
            10  C1y C    24.4054  -15.7606
            11  C1y C    24.4054  -17.1464
            12  C1y C    29.2046  -15.7606
            13  C1x C    31.5994  -17.1567
            14  O2x O    30.4079  -15.0725
            15  C1y C    30.3961  -17.8448
            16  C1x C    29.2061  -17.1488
            17  O7x O    30.3885  -19.2231
            18  C2x C    25.6090  -17.8374
            19  C2x C    25.6090  -19.2196
            20  C2x C    26.8042  -19.9033
            21  C2y C    26.7966  -21.2832
            22  C7x C    29.1944  -19.9164
            23  C1y C    29.1868  -21.2965
            24  C1z C    27.9923  -21.9747
            25  C1y C    27.9829  -23.3482
            26  C1y C    29.1674  -24.0431
            27  C2y C    30.3615  -23.3647
            28  C2x C    30.3712  -21.9914
            29  C1a C    25.6059  -13.6813
            30  O2a O    23.2050  -15.0675
            31  C1a C    23.2758  -17.9811
            32  C1x C    25.5941  -21.9726
            33  O1a O    28.1140  -20.5843
            34  O1a O    29.1577  -25.4293
            35  C1a C    31.5570  -24.0662
            36  O6a O    27.9950  -19.2217
            37  C1a C    35.1785  -13.6952
            38  C1c C    35.1772  -16.4552
            39  C1a C    35.1767  -17.8414
            40  C1b C    36.3779  -15.7627
            41  C1a C    37.5781  -16.4563
            42  O2x O    25.6429  -23.3566
            43  C1y C    19.6165  -15.7606
            44  C1y C    19.6165  -17.1464
            45  C1y C    20.8156  -17.8450
            46  C1x C    22.0150  -17.1464
            47  C1y C    22.0150  -15.7606
            48  O2x O    20.8156  -15.0730
            49  C1a C    18.4171  -15.0656
            50  O2a O    20.8156  -19.2312
            51  O1a O    18.4148  -17.8372
            52  C1a C    22.0161  -19.9240
BOND        57
            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   40  41 1
            34   19  20 1
            35   32  42 1
            36   25  42 1
            37    4   5 1
            38    8   9 2
            39    9  10 1
            40   20  21 2
            41   21  24 1
            42   23  22 1 #Down
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  43 1
            49   10  11 1
            50   43  49 1 #Down
            51   11  18 1
            52   45  50 1 #Down
            53    5   6 2
            54   44  51 1 #Up
            55    1   6 1 #Up
            56   50  52 1
            57   47  30 1 #Up

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