KEGG   COMPOUND: C11968Help
Entry
C11968                      Compound                               

Name
Avermectin A1b;
Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-
Formula
C48H72O14
Exact mass
872.4922
Mol weight
873.0769
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
   C11968  Avermectin A1b
BRITE hierarchy
Other DBs
CAS: 65195-52-0
PubChem: 14129
ChEBI: 29525
LIPIDMAPS: LMPK04000021
NIKKAJI: J91.850D
KCF data Show

ATOM        62
            1   C1z C    31.4570  -13.3674
            2   O2x O    32.6485  -14.0560
            3   C1y C    33.8406  -13.3687
            4   C1y C    33.8414  -11.9924
            5   C2x C    32.6498  -11.3038
            6   C2x C    31.4577  -11.9914
            7   C1x C    27.8594  -12.6787
            8   C2x C    26.6584  -13.3674
            9   C2y C    25.4561  -12.6735
            10  C1y C    24.2538  -13.3674
            11  C1y C    24.2538  -14.7557
            12  C1y C    29.0607  -13.3674
            13  C1x C    31.4591  -14.7659
            14  O2x O    30.2659  -12.6785
            15  C1y C    30.2538  -15.4549
            16  C1x C    29.0623  -14.7581
            17  O7x O    30.2462  -16.8356
            18  C2x C    25.4592  -15.4478
            19  C2x C    25.4592  -16.8322
            20  C2x C    26.6563  -17.5169
            21  C2y C    26.6487  -18.8989
            22  C7x C    29.0502  -17.5300
            23  C1y C    29.0426  -18.9120
            24  C1z C    27.8466  -19.5915
            25  C1y C    27.8369  -20.9670
            26  C1y C    29.0232  -21.6632
            27  C2y C    30.2195  -20.9838
            28  C2x C    30.2289  -19.6083
            29  C1a C    25.4561  -11.2851
            30  O2a O    23.0514  -12.6735
            31  C1a C    23.1925  -15.5212
            32  C1x C    25.4443  -19.5894
            33  O1a O    27.6879  -18.4790
            34  O2a O    29.0835  -23.0513
            35  C1a C    31.4168  -21.6863
            36  O6a O    27.8489  -16.6240
            37  C1a C    35.0440  -11.2988
            38  C1c C    35.0427  -14.0634
            39  C1a C    35.0419  -15.4514
            40  C1a C    36.2453  -13.3697
            41  O2x O    25.4230  -20.9754
            42  C1a C    30.2108  -23.7539
            43  C1y C    19.4463  -13.3674
            44  C1y C    19.4463  -14.7557
            45  C1y C    20.6476  -15.4554
            46  C1x C    21.8486  -14.7557
            47  C1y C    21.8486  -13.3674
            48  O2x O    20.6476  -12.6787
            49  C1a C    18.2453  -12.6716
            50  O2a O    20.6476  -16.8434
            51  O2a O    18.2429  -15.4475
            52  C1a C    21.8499  -17.5376
            53  C1y C    14.6367  -16.1330
            54  C1y C    14.6367  -17.5213
            55  C1y C    15.8377  -18.2208
            56  C1x C    17.0390  -17.5213
            57  C1y C    17.0390  -16.1330
            58  O2x O    15.8377  -15.4444
            59  C1a C    13.4354  -15.4370
            60  O2a O    15.8377  -19.6091
            61  O1a O    13.4331  -18.2131
            62  C1a C    17.0401  -20.3033
BOND        68
            1    10  30 1 #Down
            2     1  14 1
            3    11  31 1 #Down
            4    14  12 1
            5    21  32 1
            6    12   7 1 #Up
            7    24  33 1 #Down
            8     7   8 1
            9    26  34 1 #Up
            10    1   2 1 #Down
            11   27  35 1
            12   15  16 1
            13   22  36 2
            14   22  17 1
            15    4  37 1 #Down
            16   15  17 1 #Up
            17    3  38 1 #Up
            18    2   3 1
            19   38  39 1
            20    3   4 1
            21   38  40 1
            22   18  19 2
            23   32  41 1
            24   25  41 1
            25   19  20 1
            26   34  42 1
            27    4   5 1
            28    8   9 2
            29    9  10 1
            30   20  21 2
            31   21  24 1
            32   23  22 1 #Down
            33   43  44 1
            34   44  45 1
            35   45  46 1
            36   46  47 1
            37   47  48 1
            38   48  43 1
            39   10  11 1
            40   43  49 1 #Down
            41   11  18 1
            42   45  50 1 #Down
            43    5   6 2
            44   44  51 1 #Up
            45    1   6 1 #Up
            46   50  52 1
            47   47  30 1 #Up
            48   57  51 1 #Up
            49   12  16 1
            50   23  24 1
            51   24  25 1
            52   25  26 1
            53   26  27 1
            54   27  28 2
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   57  58 1
            60   58  53 1
            61   28  23 1
            62   53  59 1 #Down
            63   15  13 1
            64   55  60 1 #Down
            65    9  29 1
            66   54  61 1 #Up
            67   13   1 1
            68   60  62 1

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