KEGG   COMPOUND: C11979Help
Entry
C11979                      Compound                               

Name
Avermectin B1a aglycone
Formula
C34H48O8
Exact mass
584.3349
Mol weight
584.7401
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: 14140
ChEBI: 29535
3DMET: B05596
NIKKAJI: J2.778.789D
LinkDB All DBs
KCF data Show

ATOM        42
            1   C1z C    26.3748  -13.4236
            2   O2x O    27.5613  -14.1095
            3   C1y C    28.7485  -13.4247
            4   C1y C    28.7493  -12.0543
            5   C2x C    27.5626  -11.3684
            6   C2x C    26.3754  -12.0530
            7   C1x C    22.7920  -12.7378
            8   C2x C    21.5956  -13.4236
            9   C2y C    20.3982  -12.7323
            10  C1y C    19.2010  -13.4236
            11  C1y C    19.2010  -14.8063
            12  C1y C    23.9881  -13.4236
            13  C1x C    26.3769  -14.8165
            14  O2x O    25.1884  -12.7375
            15  C1y C    25.1766  -15.5026
            16  C1x C    23.9896  -14.8087
            17  O7x O    25.1690  -16.8774
            18  C2x C    20.4016  -15.4955
            19  C2x C    20.4013  -16.8743
            20  C2x C    21.5935  -17.5560
            21  C2y C    21.5859  -18.9326
            22  C7x C    23.9776  -17.5693
            23  C1y C    23.9701  -18.9457
            24  C1z C    22.7789  -19.6224
            25  C1y C    22.7692  -20.9923
            26  C1y C    23.9510  -21.6854
            27  C2y C    25.1421  -21.0090
            28  C2x C    25.1518  -19.6389
            29  C1a C    20.3982  -11.3496
            30  O1a O    18.0036  -12.7323
            31  C1a C    18.0043  -15.4989
            32  C1x C    20.3867  -19.6200
            33  O1a O    22.9003  -18.2355
            34  O1a O    23.9413  -23.0681
            35  C1a C    26.3346  -21.7087
            36  O6a O    22.7815  -16.8761
            37  C1a C    29.9470  -11.3635
            38  C1c C    29.9457  -14.1165
            39  C1a C    29.9449  -15.4992
            40  C1b C    31.1434  -13.4260
            41  C1a C    32.3403  -14.1178
            42  O2x O    20.3655  -21.0006
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 1 #Up
            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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