KEGG   COMPOUND: C11967Help
Entry
C11967                      Compound                               

Name
Avermectin B1b
Formula
C47H70O14
Exact mass
858.4766
Mol weight
859.0503
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.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C11967  Avermectin B1b
BRITE hierarchy
Other DBs
CAS: 65195-56-4
PubChem: 14128
ChEBI: 29537
ChEMBL: CHEMBL158998 CHEMBL2079552
LIPIDMAPS: LMPK04000020
NIKKAJI: J33.375A
KCF data Show

ATOM        61
            1   C1z C    34.6384  -15.7444
            2   O2x O    35.8299  -16.4330
            3   C1y C    37.0220  -15.7455
            4   C1y C    37.0225  -14.3695
            5   C2x C    35.8312  -13.6809
            6   C2x C    34.6389  -14.3682
            7   C1x C    31.0410  -15.0558
            8   C2x C    29.8397  -15.7444
            9   C2y C    28.6377  -15.0503
            10  C1y C    27.4354  -15.7444
            11  C1y C    27.4354  -17.1327
            12  C1y C    32.2419  -15.7444
            13  C1x C    34.6405  -17.1429
            14  O2x O    33.4471  -15.0555
            15  C1y C    33.4353  -17.8318
            16  C1x C    32.2435  -17.1351
            17  O7x O    33.4277  -19.2122
            18  C2x C    28.6408  -17.8247
            19  C2x C    28.6408  -19.2091
            20  C2x C    29.8379  -19.8935
            21  C2y C    29.8303  -21.2758
            22  C7x C    32.2317  -19.9069
            23  C1y C    32.2241  -21.2889
            24  C1z C    31.0278  -21.9684
            25  C1y C    31.0184  -23.3438
            26  C1y C    32.2047  -24.0398
            27  C2y C    33.4007  -23.3606
            28  C2x C    33.4104  -21.9849
            29  C1a C    28.6377  -13.6620
            30  O2a O    26.2331  -15.0503
            31  C1a C    26.3039  -17.9682
            32  C1x C    28.6259  -21.9660
            33  O1a O    31.1495  -20.5759
            34  O1a O    32.1950  -25.4281
            35  C1a C    34.5980  -24.0631
            36  O6a O    31.0305  -19.2109
            37  C1a C    38.2251  -13.6759
            38  C1c C    38.2237  -16.4401
            39  C1a C    38.2232  -17.8284
            40  C1a C    39.4263  -15.7468
            41  O2x O    28.6046  -23.2822
            42  C1y C    22.6391  -15.7444
            43  C1y C    22.6391  -17.1327
            44  C1y C    23.8401  -17.8321
            45  C1x C    25.0413  -17.1327
            46  C1y C    25.0413  -15.7444
            47  O2x O    23.8401  -15.0558
            48  C1a C    21.4378  -15.0484
            49  O2a O    23.8401  -19.2204
            50  O2a O    21.4355  -17.8245
            51  C1a C    25.0424  -19.9145
            52  C1y C    17.8294  -18.5100
            53  C1y C    17.8294  -19.8980
            54  C1y C    19.0306  -20.5976
            55  C1x C    20.2316  -19.8980
            56  C1y C    20.2316  -18.5100
            57  O2x O    19.0306  -17.8213
            58  C1a C    16.6284  -17.8140
            59  O2a O    19.0306  -21.9859
            60  O1a O    16.6261  -20.5898
            61  C1a C    20.2329  -22.6798
BOND        67
            1    13   1 1
            2    10  30 1 #Down
            3     1  14 1
            4    11  31 1 #Down
            5    14  12 1
            6    21  32 1
            7    12   7 1 #Up
            8    24  33 1 #Down
            9     7   8 1
            10   26  34 1 #Up
            11    1   2 1 #Down
            12   27  35 1
            13   15  16 1
            14   22  36 2
            15   22  17 1
            16    4  37 1 #Down
            17   15  17 1 #Up
            18    3  38 1 #Up
            19    2   3 1
            20   38  39 1
            21    3   4 1
            22   38  40 1
            23   18  19 2
            24   32  41 1
            25   25  41 1
            26   19  20 1
            27    4   5 1
            28    8   9 2
            29    9  10 1
            30   20  21 2
            31   21  24 1
            32   42  43 1
            33   43  44 1
            34   44  45 1
            35   45  46 1
            36   46  47 1
            37   47  42 1
            38   23  22 1 #Down
            39   42  48 1 #Down
            40   10  11 1
            41   44  49 1 #Down
            42   11  18 1
            43   43  50 1 #Up
            44    5   6 2
            45   49  51 1
            46   46  30 1 #Up
            47    1   6 1 #Up
            48   56  50 1 #Up
            49   12  16 1
            50   23  24 1
            51   24  25 1
            52   25  26 1
            53   26  27 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   57  52 1
            60   27  28 2
            61   52  58 1 #Down
            62   28  23 1
            63   54  59 1 #Down
            64   15  13 1
            65   53  60 1 #Up
            66    9  29 1
            67   59  61 1

» Japanese version

DBGET integrated database retrieval system