KEGG   COMPOUND: C11980Help
Entry
C11980                      Compound                               

Name
Avermectin A1a aglycone
Formula
C35H50O8
Exact mass
598.3506
Mol weight
598.7667
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
2.1.1.-         2.4.1.-
Other DBs
PubChem: 14141
ChEBI: 29523
3DMET: B05597
NIKKAJI: J2.778.802E
KCF data Show

ATOM        43
            1   C1z C    29.2934  -15.3928
            2   O2x O    30.4102  -16.0788
            3   C1y C    31.5978  -15.3941
            4   C1y C    31.5985  -14.0231
            5   C2x C    30.4115  -13.3370
            6   C2x C    29.2239  -14.0220
            7   C1x C    25.6396  -14.7068
            8   C2x C    24.4429  -15.3928
            9   C2y C    23.2451  -14.7015
            10  C1y C    22.0476  -15.3928
            11  C1y C    22.0476  -16.7758
            12  C1y C    26.8360  -15.3928
            13  C1x C    29.2255  -16.7860
            14  O2x O    28.0366  -14.7065
            15  C1y C    28.0249  -17.4723
            16  C1x C    26.8376  -16.7782
            17  O7x O    28.0173  -18.8478
            18  C2x C    23.2485  -17.4653
            19  C2x C    23.2483  -18.8444
            20  C2x C    24.4408  -19.5265
            21  C2y C    24.4332  -20.9033
            22  C7x C    26.8256  -19.5396
            23  C1y C    26.8180  -20.9163
            24  C1z C    25.6265  -21.5932
            25  C1y C    25.6168  -22.9635
            26  C1y C    26.7989  -23.6571
            27  C2y C    27.9904  -22.9802
            28  C2x C    28.0001  -21.6100
            29  C1a C    23.2451  -13.3185
            30  O1a O    20.8499  -14.7015
            31  C1a C    20.8507  -17.4687
            32  C1x C    23.2336  -21.5911
            33  O1a O    25.7480  -20.2060
            34  O2a O    26.7892  -25.0399
            35  C1a C    29.1832  -23.6801
            36  O6a O    25.6291  -18.8462
            37  C1a C    32.7966  -13.3321
            38  C1c C    32.7952  -16.0861
            39  C1a C    32.8645  -17.4689
            40  C1b C    33.9933  -15.3951
            41  C1a C    35.1905  -16.0872
            42  O2x O    23.2125  -22.9718
            43  C1a C    27.9820  -25.7398
BOND        47
            1     9  10 1
            2    20  21 2
            3    21  24 1
            4    23  22 1 #Down
            5    10  11 1
            6    11  18 1
            7     5   6 2
            8     1   6 1 #Up
            9    12  16 1
            10   23  24 1
            11   24  25 1
            12   25  26 1
            13   26  27 1
            14   27  28 2
            15   28  23 1
            16   15  13 1
            17    9  29 1
            18   13   1 1
            19   10  30 1 #Down
            20    1  14 1
            21   11  31 1 #Down
            22   14  12 1
            23   21  32 1
            24   12   7 1 #Up
            25   24  33 1 #Down
            26    7   8 1
            27   26  34 1 #Up
            28    1   2 1 #Down
            29   27  35 1
            30   15  16 1
            31   22  36 2
            32   22  17 1
            33    4  37 1 #Down
            34   15  17 1 #Up
            35    3  38 1 #Up
            36    2   3 1
            37   38  39 1
            38    3   4 1
            39   38  40 1
            40   18  19 2
            41   40  41 1
            42   19  20 1
            43   32  42 1
            44   25  42 1
            45    4   5 1
            46   34  43 1
            47    8   9 2

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