KEGG   COMPOUND: C11978Help
Entry
C11978                      Compound                               

Name
5-Oxoavermectin ''1a'' aglycone
Formula
C34H46O8
Exact mass
582.3193
Mol weight
582.7242
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
1.14.-.-
Other DBs
PubChem: 14139
ChEBI: 138814
3DMET: B05595
NIKKAJI: J2.778.773H
KCF data Show

ATOM        42
            1   C1z C    26.3726  -13.4881
            2   O2x O    27.5593  -14.1740
            3   C1y C    28.7466  -13.4894
            4   C1y C    28.7473  -12.1188
            5   C2x C    27.5606  -11.4329
            6   C2x C    26.3734  -12.1177
            7   C1x C    22.7897  -12.8023
            8   C2x C    21.5935  -13.4881
            9   C2y C    20.3961  -12.7968
            10  C1y C    19.1986  -13.4881
            11  C1y C    19.1986  -14.8708
            12  C1y C    23.9861  -13.4881
            13  C1x C    26.3747  -14.8810
            14  O2x O    25.1864  -12.8020
            15  C1y C    25.1744  -15.5671
            16  C1x C    23.9876  -14.8732
            17  O7x O    25.1668  -16.9422
            18  C2x C    20.3992  -15.5601
            19  C2x C    20.3992  -16.9388
            20  C2x C    21.5914  -17.6208
            21  C2y C    21.5839  -18.9972
            22  C7x C    23.9756  -17.6338
            23  C1y C    23.9680  -19.0103
            24  C1z C    22.7769  -19.6870
            25  C1y C    22.7672  -21.0569
            26  C5x C    23.9487  -21.7503
            27  C2y C    25.1401  -21.0736
            28  C2x C    25.1495  -19.7037
            29  C1a C    20.3961  -11.4144
            30  O1a O    18.0015  -12.7968
            31  C1a C    18.0022  -15.5635
            32  C1x C    20.3843  -19.6849
            33  O1a O    22.8283  -18.3001
            34  O5x O    23.9390  -23.1327
            35  C1a C    26.3326  -21.7733
            36  O6a O    22.7792  -16.9407
            37  C1a C    29.9450  -11.4279
            38  C1c C    29.9437  -14.1813
            39  C1a C    29.9430  -15.5637
            40  C1b C    31.1414  -13.4905
            41  C1a C    32.3384  -14.1823
            42  O2x O    20.3632  -21.0652
BOND        46
            1     8   9 2
            2     9  10 1
            3    20  21 2
            4    21  24 1
            5    23  22 1 #Down
            6    10  11 1
            7    11  18 1
            8     5   6 2
            9     1   6 1 #Up
            10   12  16 1
            11   23  24 1
            12   24  25 1
            13   25  26 1
            14   26  27 1
            15   27  28 2
            16   28  23 1
            17   15  13 1
            18    9  29 1
            19   13   1 1
            20   10  30 1 #Down
            21    1  14 1
            22   11  31 1 #Down
            23   14  12 1
            24   21  32 1
            25   12   7 1 #Up
            26   24  33 1 #Down
            27    7   8 1
            28   26  34 2
            29    1   2 1 #Down
            30   27  35 1
            31   15  16 1
            32   22  36 2
            33   22  17 1
            34    4  37 1 #Down
            35   15  17 1 #Up
            36    3  38 1 #Up
            37    2   3 1
            38   38  39 1
            39    3   4 1
            40   38  40 1
            41   18  19 2
            42   40  41 1
            43   19  20 1
            44   32  42 1
            45   25  42 1
            46    4   5 1

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