KEGG   COMPOUND: C11966Help
Entry
C11966                      Compound                               

Name
Avermectin A1b monosaccharide
Formula
C41H60O11
Exact mass
728.4136
Mol weight
728.9085
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
2.4.1.-
Other DBs
PubChem: 14127
ChEBI: 29527
NIKKAJI: J2.778.607C
KCF data Show

ATOM        52
            1   C1z C    32.2574  -15.3852
            2   O2x O    33.4467  -16.0727
            3   C1y C    34.6368  -15.3865
            4   C1y C    34.6376  -14.0126
            5   C2x C    33.4480  -13.3251
            6   C2x C    32.2579  -14.0115
            7   C1x C    28.6659  -14.6977
            8   C2x C    27.4666  -15.3852
            9   C2y C    26.2663  -14.6922
            10  C1y C    25.0662  -15.3852
            11  C1y C    25.0662  -16.7712
            12  C1y C    29.8649  -15.3852
            13  C1x C    32.2595  -16.7814
            14  O2x O    31.0681  -14.6974
            15  C1y C    31.0563  -17.4692
            16  C1x C    29.8664  -16.7736
            17  O7x O    31.0487  -18.8476
            18  C2x C    26.2697  -17.4621
            19  C2x C    26.2694  -18.8442
            20  C2x C    27.4645  -19.5278
            21  C2y C    27.4569  -20.9075
            22  C7x C    29.8544  -19.5409
            23  C1y C    29.8468  -20.9206
            24  C1z C    28.6528  -21.5989
            25  C1y C    28.6431  -22.9721
            26  C1y C    29.8277  -23.6672
            27  C2y C    31.0217  -22.9888
            28  C2x C    31.0314  -21.6157
            29  C1a C    26.2663  -13.3065
            30  O2a O    23.8659  -14.6922
            31  C1a C    23.9367  -17.6755
            32  C1x C    26.2548  -21.5968
            33  O1a O    28.7742  -20.2087
            34  O2a O    29.8180  -25.0529
            35  C1a C    32.2170  -23.6902
            36  O6a O    28.6554  -18.8460
            37  C1a C    35.8381  -13.3201
            38  C1c C    35.8368  -16.0800
            39  C1a C    35.8360  -17.4658
            40  C1a C    37.0374  -15.3876
            41  O2x O    26.2335  -22.9805
            42  C1a C    31.0133  -25.7543
            43  C1y C    20.2668  -15.3852
            44  C1y C    20.2668  -16.7712
            45  C1y C    21.4658  -17.4697
            46  C1x C    22.6651  -16.7712
            47  C1y C    22.6651  -15.3852
            48  O2x O    21.4658  -14.6977
            49  C1a C    19.0676  -14.6906
            50  O2a O    21.4658  -18.8554
            51  O1a O    19.0652  -17.4618
            52  C1a C    22.6661  -19.5484
BOND        57
            1    12  16 1
            2    23  24 1
            3    24  25 1
            4    25  26 1
            5    26  27 1
            6    27  28 2
            7    28  23 1
            8    15  13 1
            9     9  29 1
            10   13   1 1
            11   10  30 1 #Down
            12    1  14 1
            13   11  31 1 #Down
            14   14  12 1
            15   21  32 1
            16   12   7 1 #Up
            17   24  33 1 #Down
            18    7   8 1
            19   26  34 1 #Up
            20    1   2 1 #Down
            21   27  35 1
            22   15  16 1
            23   22  36 2
            24   22  17 1
            25    4  37 1 #Down
            26   15  17 1 #Up
            27    3  38 1 #Up
            28    2   3 1
            29   38  39 1
            30    3   4 1
            31   38  40 1
            32   18  19 2
            33   32  41 1
            34   25  41 1
            35   19  20 1
            36   34  42 1
            37    4   5 1
            38    8   9 2
            39    9  10 1
            40   20  21 2
            41   21  24 1
            42   23  22 1 #Down
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  43 1
            49   10  11 1
            50   43  49 1 #Down
            51   11  18 1
            52   45  50 1 #Down
            53    5   6 2
            54   44  51 1 #Up
            55    1   6 1 #Up
            56   50  52 1
            57   47  30 1 #Up

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