KEGG   COMPOUND: C11977Help
Entry
C11977                      Compound                               

Name
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
Formula
C34H48O7
Exact mass
568.34
Mol weight
568.7407
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: 14138
3DMET: B04390
NIKKAJI: J2.778.614F
KCF data Show

ATOM        41
            1   C1z C    25.3828  -15.9914
            2   O2x O    26.5884  -16.6882
            3   C1y C    27.7945  -15.9928
            4   C1y C    27.7953  -14.6003
            5   C2x C    26.5897  -13.9035
            6   C2x C    25.3836  -14.5992
            7   C1x C    21.7428  -15.2947
            8   C2x C    20.5277  -15.9914
            9   C2y C    19.3112  -15.2894
            10  C1y C    18.0947  -15.9914
            11  C1y C    18.0947  -17.3961
            12  C1y C    22.9583  -15.9914
            13  C1x C    25.3849  -17.4065
            14  O2x O    24.1777  -15.2944
            15  C1y C    24.1655  -18.1035
            16  C1x C    22.9599  -17.3985
            17  O7x O    24.1578  -19.5005
            18  C2x C    19.3144  -18.0964
            19  C2x C    19.3144  -19.4971
            20  C2x C    20.5255  -20.1899
            21  C2y C    20.5178  -21.5882
            22  C7x C    22.9477  -20.2031
            23  C1y C    22.9400  -21.6014
            24  C1z C    21.7298  -22.2889
            25  C1x C    21.7200  -23.6806
            26  C5x C    22.9203  -24.3851
            27  C2y C    24.1307  -23.6976
            28  C2x C    24.1403  -22.3059
            29  C1a C    19.3112  -13.8847
            30  O1a O    16.8784  -15.2894
            31  C1a C    16.8792  -18.0998
            32  C1a C    19.2992  -22.2868
            33  O1a O    21.8510  -20.8800
            34  O5x O    22.9105  -25.7895
            35  C1a C    25.3422  -24.4084
            36  O6a O    21.7322  -19.4989
            37  C1a C    29.0121  -13.8985
            38  C1c C    29.0108  -16.6956
            39  C1a C    29.0100  -18.1001
            40  C1b C    30.2275  -15.9938
            41  C1a C    31.4435  -16.6967
BOND        44
            1    19  20 1
            2     4   5 1
            3     8   9 2
            4     9  10 1
            5    20  21 2
            6    21  24 1
            7    23  22 1 #Down
            8    10  11 1
            9    11  18 1
            10    5   6 2
            11    1   6 1 #Up
            12   12  16 1
            13   23  24 1
            14   24  25 1
            15   25  26 1
            16   26  27 1
            17   27  28 2
            18   28  23 1
            19   15  13 1
            20    9  29 1
            21   13   1 1
            22   10  30 1 #Down
            23    1  14 1
            24   11  31 1 #Down
            25   14  12 1
            26   21  32 1
            27   12   7 1 #Up
            28   24  33 1 #Down
            29    7   8 1
            30   26  34 2
            31    1   2 1 #Down
            32   27  35 1
            33   15  16 1
            34   22  36 2
            35   22  17 1
            36    4  37 1 #Down
            37   15  17 1 #Up
            38    3  38 1 #Up
            39    2   3 1
            40   38  39 1
            41    3   4 1
            42   38  40 1
            43   18  19 2
            44   40  41 1

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