KEGG   COMPOUND: C11962Help
Entry
C11962                      Compound                               

Name
5-Oxoavermectin ''1b'' aglycone
Formula
C33H44O8
Exact mass
568.3036
Mol weight
568.6977
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: 14123
NIKKAJI: J2.778.602B
LinkDB All DBs
KCF data Show

ATOM        41
            1   C1z C    26.9185  -13.4849
            2   O2x O    28.1047  -14.1705
            3   C1y C    29.2916  -13.4859
            4   C1y C    29.2924  -12.1157
            5   C2x C    28.1060  -11.4300
            6   C2x C    26.9191  -12.1146
            7   C1x C    23.3367  -12.7992
            8   C2x C    22.1406  -13.4849
            9   C2y C    20.9435  -12.7937
            10  C1y C    19.7467  -13.4849
            11  C1y C    19.7467  -14.8669
            12  C1y C    24.5324  -13.4849
            13  C1x C    26.9206  -14.8771
            14  O2x O    25.7324  -12.7987
            15  C1y C    25.7207  -15.5633
            16  C1x C    24.5340  -14.8693
            17  O7x O    25.7131  -16.9377
            18  C2x C    20.9469  -15.5560
            19  C2x C    20.9466  -16.9343
            20  C2x C    22.1385  -17.6161
            21  C2y C    22.1309  -18.9921
            22  C7x C    24.5220  -17.6291
            23  C1y C    24.5144  -19.0054
            24  C1z C    23.3236  -19.6817
            25  C1y C    23.3139  -21.0514
            26  C5x C    24.4953  -21.7444
            27  C2y C    25.6862  -21.0679
            28  C2x C    25.6958  -19.6984
            29  C1a C    20.9435  -11.4115
            30  O1a O    18.5496  -12.7937
            31  C1a C    18.5504  -15.5596
            32  C1x C    20.9320  -19.6796
            33  O1a O    23.3750  -18.2952
            34  O5x O    24.4857  -23.1267
            35  C1a C    26.8783  -21.7674
            36  O6a O    23.3262  -16.9364
            37  C1a C    30.4897  -11.4253
            38  C1c C    30.4884  -14.1776
            39  C1a C    30.4876  -15.5599
            40  C1a C    31.6858  -13.4870
            41  O2x O    20.9109  -21.0598
BOND        45
            1     4   5 1
            2     8   9 2
            3     9  10 1
            4    20  21 2
            5    21  24 1
            6    23  22 1 #Down
            7    10  11 1
            8    11  18 1
            9     5   6 2
            10    1   6 1 #Up
            11   12  16 1
            12   23  24 1
            13   24  25 1
            14   25  26 1
            15   26  27 1
            16   27  28 2
            17   28  23 1
            18   15  13 1
            19    9  29 1
            20   13   1 1
            21   10  30 1 #Down
            22    1  14 1
            23   11  31 1 #Down
            24   14  12 1
            25   21  32 1
            26   12   7 1 #Up
            27   24  33 1 #Down
            28    7   8 1
            29   26  34 2
            30    1   2 1 #Down
            31   27  35 1
            32   15  16 1
            33   22  36 2
            34   22  17 1
            35    4  37 1 #Down
            36   15  17 1 #Up
            37    3  38 1 #Up
            38    2   3 1
            39   38  39 1
            40    3   4 1
            41   38  40 1
            42   18  19 2
            43   32  41 1
            44   25  41 1
            45   19  20 1

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