KEGG   COMPOUND: C11963Help
Entry
C11963                      Compound                               

Name
Avermectin B1b aglycone
Formula
C33H46O8
Exact mass
570.3193
Mol weight
570.7135
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: 14124
ChEBI: 29538
NIKKAJI: J2.778.604I
LinkDB All DBs
KCF data Show

ATOM        41
            1   C1z C    26.9226  -13.4851
            2   O2x O    28.1090  -14.1707
            3   C1y C    29.2959  -13.4864
            4   C1y C    29.2965  -12.1161
            5   C2x C    28.1103  -11.4304
            6   C2x C    26.9231  -12.1150
            7   C1x C    23.3407  -12.7994
            8   C2x C    22.1446  -13.4851
            9   C2y C    20.9477  -12.7942
            10  C1y C    19.7506  -13.4851
            11  C1y C    19.7506  -14.8674
            12  C1y C    24.5365  -13.4851
            13  C1x C    26.9247  -14.8776
            14  O2x O    25.7365  -12.7991
            15  C1y C    25.7247  -15.5635
            16  C1x C    24.5380  -14.8697
            17  O7x O    25.7171  -16.9382
            18  C2x C    20.9509  -15.5564
            19  C2x C    20.9509  -16.9348
            20  C2x C    22.1428  -17.6166
            21  C2y C    22.1352  -18.9926
            22  C7x C    24.5263  -17.6296
            23  C1y C    24.5187  -19.0057
            24  C1z C    23.3276  -19.6822
            25  C1y C    23.3182  -21.0517
            26  C1y C    24.4994  -21.7450
            27  C2y C    25.6902  -21.0684
            28  C2x C    25.6999  -19.6989
            29  C1a C    20.9477  -11.4119
            30  O1a O    18.5535  -12.7942
            31  C1a C    18.5543  -15.5598
            32  C1x C    20.9360  -19.6801
            33  O1a O    23.3793  -18.2957
            34  O1a O    24.4897  -23.1270
            35  C1a C    26.8824  -21.7680
            36  O6a O    23.3302  -16.9367
            37  C1a C    30.4938  -11.4254
            38  C1c C    30.4925  -14.1780
            39  C1a C    30.4920  -15.5601
            40  C1a C    31.6899  -13.4874
            41  O2x O    20.9148  -21.0601
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 1 #Up
            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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