KEGG   COMPOUND: C11960Help
Entry
C11960                      Compound                               

Name
Avermectin A2b
Formula
C48H74O15
Exact mass
890.5028
Mol weight
891.0922
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
Enzyme
2.4.1.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C11960  Avermectin A2b
BRITE hierarchy
Other DBs
CAS: 65195-54-2
PubChem: 14121
ChEBI: 29531
LIPIDMAPS: LMPK04000019
NIKKAJI: J91.851B
KCF data Show

ATOM        63
            1   C1z C    31.4742  -14.0308
            2   O2x O    32.6660  -14.7196
            3   C1y C    33.8583  -14.0321
            4   C1y C    33.8588  -12.6556
            5   C1y C    32.6673  -11.9669
            6   C1x C    31.4748  -12.6546
            7   C1x C    27.8761  -13.3421
            8   C2x C    26.6746  -14.0308
            9   C2y C    25.4723  -13.3368
            10  C1y C    24.2698  -14.0308
            11  C1y C    24.2698  -15.4194
            12  C1y C    29.0773  -14.0308
            13  C1x C    31.4763  -15.4296
            14  O2x O    30.2827  -13.3418
            15  C1y C    30.2709  -16.1187
            16  C1x C    29.0789  -15.4218
            17  O7x O    30.2633  -17.4996
            18  C2x C    25.4755  -16.1116
            19  C2x C    25.4755  -17.4962
            20  C2x C    26.6728  -18.1810
            21  C2y C    26.6652  -19.5633
            22  C7x C    29.0671  -18.1942
            23  C1y C    29.0595  -19.5764
            24  C1z C    27.8630  -20.2560
            25  C1y C    27.8535  -21.6317
            26  C1y C    29.0400  -22.3281
            27  C2y C    30.2363  -21.6485
            28  C2x C    30.2460  -20.2728
            29  C1a C    25.4723  -11.9482
            30  O2a O    23.0673  -13.3368
            31  C1a C    23.0681  -16.2550
            32  C1x C    25.4605  -20.2539
            33  O1a O    27.9846  -18.8632
            34  O2a O    29.0303  -23.7164
            35  C1a C    31.4338  -22.3512
            36  O6a O    27.8656  -17.4980
            37  C1a C    35.0616  -11.9619
            38  C1c C    35.0603  -14.7269
            39  C1a C    35.0598  -16.1152
            40  C1a C    36.2631  -14.0332
            41  O2x O    25.5093  -21.6401
            42  C1a C    30.2279  -24.4191
            43  C1y C    19.4615  -14.0308
            44  C1y C    19.4615  -15.4194
            45  C1y C    20.6627  -16.1192
            46  C1x C    21.8642  -15.4194
            47  C1y C    21.8642  -14.0308
            48  O2x O    20.6627  -13.3421
            49  C1a C    18.2600  -13.3350
            50  O2a O    20.6627  -17.5075
            51  O2a O    18.2577  -16.1113
            52  C1a C    21.8653  -18.2018
            53  O1a O    32.6678  -10.5783
            54  C1y C    14.6538  -16.7925
            55  C1y C    14.6538  -18.1808
            56  C1y C    15.8552  -18.8806
            57  C1x C    17.0567  -18.1808
            58  C1y C    17.0567  -16.7925
            59  O2x O    15.8552  -16.1037
            60  C1a C    13.4526  -16.0964
            61  O2a O    15.8552  -20.2691
            62  O1a O    13.4502  -18.8727
            63  C1a C    17.0578  -20.9632
BOND        69
            1     1  14 1
            2    11  31 1 #Down
            3    14  12 1
            4    21  32 1
            5    12   7 1 #Up
            6    24  33 1 #Down
            7     7   8 1
            8    26  34 1 #Up
            9     1   2 1 #Down
            10   27  35 1
            11   15  16 1
            12   22  36 2
            13   22  17 1
            14    4  37 1 #Down
            15   15  17 1 #Up
            16    3  38 1 #Up
            17    2   3 1
            18   38  39 1
            19    3   4 1
            20   38  40 1
            21   18  19 2
            22   32  41 1
            23   25  41 1
            24   19  20 1
            25   34  42 1
            26    4   5 1
            27    8   9 2
            28    9  10 1
            29   20  21 2
            30   21  24 1
            31   23  22 1 #Down
            32   43  44 1
            33   44  45 1
            34   45  46 1
            35   46  47 1
            36   47  48 1
            37   48  43 1
            38   10  11 1
            39   43  49 1 #Down
            40   11  18 1
            41   45  50 1 #Down
            42    5   6 1
            43   44  51 1 #Up
            44    1   6 1 #Up
            45   50  52 1
            46   47  30 1 #Up
            47    5  53 1 #Down
            48   12  16 1
            49   58  51 1 #Up
            50   23  24 1
            51   24  25 1
            52   25  26 1
            53   26  27 1
            54   27  28 2
            55   28  23 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   57  58 1
            60   58  59 1
            61   59  54 1
            62   15  13 1
            63   54  60 1 #Down
            64    9  29 1
            65   56  61 1 #Down
            66   13   1 1
            67   55  62 1 #Up
            68   10  30 1 #Down
            69   61  63 1

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