KEGG   COMPOUND: C11961Help
Entry
C11961                      Compound                               

Name
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
Formula
C33H46O7
Exact mass
554.3244
Mol weight
554.7141
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
1.14.-.-
Other DBs
PubChem: 14122
ChEBI: 138850
3DMET: B04388
NIKKAJI: J2.778.598K
KCF data Show

ATOM        40
            1   C1z C    26.0262  -15.9392
            2   O2x O    27.2315  -16.6360
            3   C1y C    28.4376  -15.9403
            4   C1y C    28.4384  -14.5478
            5   C2x C    27.2328  -13.8511
            6   C2x C    26.0267  -14.5468
            7   C1x C    22.3864  -15.2425
            8   C2x C    21.1710  -15.9392
            9   C2y C    19.9545  -15.2369
            10  C1y C    18.7383  -15.9392
            11  C1y C    18.7383  -17.3436
            12  C1y C    23.6015  -15.9392
            13  C1x C    26.0283  -17.3540
            14  O2x O    24.8209  -15.2420
            15  C1y C    24.8089  -18.0512
            16  C1x C    23.6031  -17.3460
            17  O7x O    24.8012  -19.4479
            18  C2x C    19.9580  -18.0438
            19  C2x C    19.9577  -19.4445
            20  C2x C    21.1688  -20.1373
            21  C2y C    21.1611  -21.5356
            22  C7x C    23.5909  -20.1506
            23  C1y C    23.5832  -21.5491
            24  C1z C    22.3731  -22.2363
            25  C1x C    22.3633  -23.6282
            26  C5x C    23.5638  -24.3323
            27  C2y C    24.7739  -23.6449
            28  C2x C    24.7837  -22.2533
            29  C1a C    19.9545  -13.8323
            30  O1a O    17.5218  -15.2369
            31  C1a C    17.5226  -18.0475
            32  C1a C    19.9428  -22.2341
            33  O1a O    22.4942  -20.8274
            34  O5x O    23.5540  -25.7370
            35  C1a C    25.9853  -24.3557
            36  O6a O    22.3757  -19.4466
            37  C1a C    29.6551  -13.8463
            38  C1c C    29.6538  -16.6432
            39  C1a C    29.6530  -18.0477
            40  C1a C    30.8705  -15.9413
BOND        43
            1    18  19 2
            2    19  20 1
            3     4   5 1
            4     8   9 2
            5     9  10 1
            6    20  21 2
            7    21  24 1
            8    23  22 1 #Down
            9    10  11 1
            10   11  18 1
            11    5   6 2
            12    1   6 1 #Up
            13   12  16 1
            14   23  24 1
            15   24  25 1
            16   25  26 1
            17   26  27 1
            18   27  28 2
            19   28  23 1
            20   15  13 1
            21    9  29 1
            22   13   1 1
            23   10  30 1 #Down
            24    1  14 1
            25   11  31 1 #Down
            26   14  12 1
            27   21  32 1
            28   12   7 1 #Up
            29   24  33 1 #Down
            30    7   8 1
            31   26  34 2
            32    1   2 1 #Down
            33   27  35 1
            34   15  16 1
            35   22  36 2
            36   22  17 1
            37    4  37 1 #Down
            38   15  17 1 #Up
            39    3  38 1 #Up
            40    2   3 1
            41   38  39 1
            42    3   4 1
            43   38  40 1

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