KEGG   COMPOUND: C11974
Entry
C11974                      Compound                               
Name
Avermectin A2a monosaccharide
Formula
C42H64O12
Exact mass
760.4398
Mol weight
760.9504
Structure
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
Enzyme
2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C11974  Avermectin A2a monosaccharide
Other DBs
PubChem: 14135
ChEBI: 29530
3DMET: B05592
NIKKAJI: J2.778.613H
LinkDB
KCF data

ATOM        54
            1   C1z C    31.6342  -16.1126
            2   O2x O    32.8242  -16.8004
            3   C1y C    34.0146  -16.1137
            4   C1y C    34.0152  -14.7393
            5   C1y C    32.8255  -14.0515
            6   C1x C    31.6347  -14.7382
            7   C1x C    28.0415  -15.4249
            8   C2x C    26.8418  -16.1126
            9   C2y C    25.6414  -15.4194
            10  C1y C    24.4407  -16.1126
            11  C1y C    24.4407  -17.4988
            12  C1y C    29.2409  -16.1126
            13  C1x C    31.6363  -17.5090
            14  O2x O    30.4445  -15.4244
            15  C1y C    30.4327  -18.1973
            16  C1x C    29.2425  -17.5012
            17  O7x O    30.4251  -19.5759
            18  C2x C    25.6445  -18.1900
            19  C2x C    25.6445  -19.5725
            20  C2x C    26.8400  -20.2563
            21  C2y C    26.8324  -21.6365
            22  C7x C    29.2307  -20.2694
            23  C1y C    29.2231  -21.6498
            24  C1z C    28.0284  -22.3281
            25  C1y C    28.0190  -23.7020
            26  C1y C    29.2037  -24.3971
            27  C2y C    30.3981  -23.7185
            28  C2x C    30.4078  -22.3449
            29  C1a C    25.6414  -14.0329
            30  O2a O    23.2400  -15.4194
            31  C1a C    23.3108  -18.3336
            32  C1x C    25.6296  -22.3260
            33  O1a O    28.1501  -20.9375
            34  O2a O    29.1940  -25.7835
            35  C1a C    31.5938  -24.4201
            36  O6a O    28.0310  -19.5746
            37  C1a C    35.2161  -14.0468
            38  C1c C    35.2148  -16.8074
            39  C1a C    35.2143  -18.1939
            40  C1b C    36.4158  -16.1147
            41  C1a C    37.6162  -16.8085
            42  O2x O    25.6084  -23.7104
            43  C1a C    30.3897  -26.4851
            44  C1y C    19.6397  -16.1126
            45  C1y C    19.6397  -17.4988
            46  C1y C    20.8391  -18.1976
            47  C1x C    22.0388  -17.4988
            48  C1y C    22.0388  -16.1126
            49  O2x O    20.8391  -15.4249
            50  C1a C    18.4401  -15.4176
            51  O2a O    20.8391  -19.5840
            52  O1a O    18.4377  -18.1897
            53  C1a C    22.0398  -20.2770
            54  O1a O    32.8260  -12.6654
BOND        59
            1    24  25 1
            2    25  26 1
            3    26  27 1
            4    27  28 2
            5    28  23 1
            6    15  13 1
            7     9  29 1
            8    13   1 1
            9    10  30 1 #Down
            10    1  14 1
            11   11  31 1 #Down
            12   14  12 1
            13   21  32 1
            14   12   7 1 #Up
            15   24  33 1 #Down
            16    7   8 1
            17   26  34 1 #Up
            18    1   2 1 #Down
            19   27  35 1
            20   15  16 1
            21   22  36 2
            22   22  17 1
            23    4  37 1 #Down
            24   15  17 1 #Up
            25    3  38 1 #Up
            26    2   3 1
            27   38  39 1
            28    3   4 1
            29   38  40 1
            30   18  19 2
            31   40  41 1
            32   19  20 1
            33   32  42 1
            34   25  42 1
            35    4   5 1
            36   34  43 1
            37    8   9 2
            38    9  10 1
            39   20  21 2
            40   21  24 1
            41   23  22 1 #Down
            42   10  11 1
            43   44  45 1
            44   45  46 1
            45   46  47 1
            46   47  48 1
            47   48  49 1
            48   49  44 1
            49   11  18 1
            50   44  50 1 #Down
            51    5   6 1
            52   46  51 1 #Down
            53    1   6 1 #Up
            54   45  52 1 #Up
            55   51  53 1
            56   48  30 1 #Up
            57   12  16 1
            58    5  54 1 #Down
            59   23  24 1

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