KEGG   COMPOUND: C05149Help
Entry
C05149                      Compound                               

Name
Bryostatin 1
Formula
C47H68O17
Exact mass
904.4457
Mol weight
905.0326
Structure
Mol fileKCF fileDB search
Sequence
0 Mtk  1 Mak  2 Mad  3 Mak  4 Isd  5 Mak  6 Mad  7 Mak  8 Mak
9 Isk  10 Mak  11 Mak  12 Man
  Gene
0-3 bryA [UP:Q5QGY3]
  Organism
Candidatus Endobugula sertula (Bugula neritina bacterial symbiont)
  Type
PK
Other DBs
CAS: 83314-01-6
PubChem: 7567
ChEBI: 88353
ChEMBL: CHEMBL281926 CHEMBL449158
KNApSAcK: C00038654
NIKKAJI: J91.917I
LinkDB All DBs
KCF data Show

ATOM        64
            1   C2y C    24.1703  -11.8308
            2   C1x C    24.1703  -13.2401
            3   C1y C    25.3907  -13.9447
            4   O2x O    26.6112  -13.2401
            5   C1y C    26.6112  -11.8308
            6   C1x C    25.3907  -11.1262
            7   C2x C    25.3907  -15.3540
            8   C2x C    26.6112  -16.0586
            9   C1z C    26.6112  -17.4679
            10  C1z C    27.8316  -18.1725
            11  O2x O    29.0520  -17.4679
            12  C1y C    27.8316  -19.5817
            13  C2y C    29.0520  -20.2864
            14  C1x C    30.2726  -19.5817
            15  C1y C    30.2726  -18.1725
            16  O1a O    27.8316  -16.7632
            17  C1a C    25.4098  -18.1617
            18  C1a C    25.4098  -16.7741
            19  O7a O    26.6132  -20.2852
            20  C7a C    26.6132  -21.6944
            21  C2b C    25.4098  -22.3894
            22  O6a O    27.8516  -22.4095
            23  C2b C    24.2157  -21.7000
            24  C2b C    23.0160  -22.3928
            25  C2b C    21.8189  -21.7018
            26  C1b C    20.6207  -22.3937
            27  C1b C    19.4229  -21.7022
            28  C1a C    18.2252  -22.3939
            29  C1a C    31.4930  -20.2864
            30  C1c C    32.7135  -19.5817
            31  C1y C    32.7135  -18.1725
            32  C1x C    31.4930  -17.4679
            33  O1a O    33.9209  -20.2790
            34  O7x O    33.9339  -17.4679
            35  C7x C    33.9339  -16.0586
            36  C1x C    32.7135  -15.3540
            37  C1y C    31.4930  -16.0586
            38  C1x C    30.2766  -15.3563
            39  C1y C    30.2766  -13.9470
            40  C1x C    31.5159  -13.2313
            41  C1y C    31.5157  -11.8221
            42  C1z C    30.2952  -11.1176
            43  C1z C    29.0560  -11.8332
            44  O2x O    29.0561  -13.2425
            45  C1x C    27.8504  -11.1151
            46  O1a O    29.0560  -10.7058
            47  C1a C    29.5906   -9.7562
            48  C1a C    30.9998   -9.8971
            49  C2b C    22.9498  -11.1262
            50  C7a C    21.7464  -11.8212
            51  O7a O    20.5512  -11.1311
            52  O6a O    21.7463  -13.2398
            53  C1a C    19.3521  -11.8237
            54  O7a O    32.7193  -11.1270
            55  C7a C    33.9221  -11.8215
            56  C1a C    35.1175  -11.1311
            57  O6a O    33.9223  -13.2398
            58  O6a O    35.1772  -15.3405
            59  O1a O    30.4135  -16.6223
            60  C2b C    29.0520  -21.6864
            61  C7a C    30.2644  -22.3864
            62  O7a O    31.4527  -21.7004
            63  C1a C    32.6478  -22.3906
            64  O6a O    30.2647  -23.7998
BOND        67
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   10  16 1 #Up
            18    9  17 1
            19    9  18 1
            20   12  19 1 #Down
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   21  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   15  32 1
            34   30  33 1 #Down
            35   31  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   37  38 1
            40   38  39 1
            41   39  40 1
            42   40  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   39  44 1
            47    5  45 1
            48   45  43 1
            49   43  46 1 #Down
            50   42  47 1
            51   42  48 1
            52    1  49 2
            53   49  50 1
            54   50  51 1
            55   50  52 2
            56   51  53 1
            57   41  54 1 #Up
            58   54  55 1
            59   55  56 1
            60   55  57 2
            61   35  58 2
            62   37  59 1 #Down
            63   13  60 2
            64   60  61 1
            65   61  62 1
            66   62  63 1
            67   61  64 2

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