KEGG   COMPOUND: C11985Help
Entry
C11985                      Compound                               

Name
Megalomicin A
Formula
C44H80N2O15
Exact mass
876.5559
Mol weight
877.1104
Structure
Mol fileKCF fileDB search
Sequence
0 Pyk  1 Mtk  2 Mtn  3 Mte  4 Mtk  5 Mtk  6 Mtn
  Organism
Micromonospora megalomicea subsp. nigra
  Type
PK
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
map01130  Biosynthesis of antibiotics
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C11985  Megalomicin A
BRITE hierarchy
Other DBs
CAS: 28022-11-9
PubChem: 14146
ChEBI: 29624
ChEMBL: CHEMBL3990195
LIPIDMAPS: LMPK04000026
3DMET: B04391
NIKKAJI: J19.399B
KCF data Show

ATOM        61
            1   O2x O    25.3806  -12.8639
            2   C1y C    26.0859  -14.0935
            3   C1y C    26.0859  -11.6575
            4   C1x C    27.4845  -14.0935
            5   C1y C    27.4845  -11.6575
            6   C1y C    28.1839  -12.8697
            7   O1a O    28.1839  -10.4277
            8   N1c N    29.5935  -12.8666
            9   C1a C    25.3904  -10.4453
            10  C1a C    30.3008  -14.0859
            11  C1a C    30.2957  -11.6445
            12  C1y C    24.5245  -17.4931
            13  C1y C    23.2773  -18.2215
            14  O2a O    25.7367  -18.2156
            15  C1z C    24.5245  -16.0710
            16  C1y C    23.2773  -19.6494
            17  C1a C    22.3390  -17.2015
            18  C1y C    26.9664  -17.4931
            19  C1x C    23.2773  -15.3599
            20  C1a C    25.7309  -15.5989
            21  O2a O    24.7343  -14.6315
            22  O2a O    24.5128  -20.2730
            23  C1y C    22.0476  -20.3604
            24  C1y C    27.6718  -18.7227
            25  O2x O    27.6718  -16.2866
            26  C1y C    23.2773  -13.9262
            27  C1y C    25.1947  -21.4502
            28  C7x C    20.8178  -19.6494
            29  C1a C    22.0476  -21.8059
            30  C1y C    29.0704  -18.7227
            31  O1a O    26.8732  -19.8593
            32  C1y C    29.0704  -16.2866
            33  C5x C    22.0476  -13.2035
            34  C1a C    24.1045  -13.0635
            35  C1x C    25.1889  -22.8140
            36  O2x O    26.3661  -20.7801
            37  O7x O    20.8178  -18.2215
            38  O6a O    19.9844  -20.2264
            39  C1x C    29.7697  -17.4988
            40  N1c N    30.2070  -19.7543
            41  C1a C    29.7697  -15.0569
            42  C1y C    20.8178  -13.9262
            43  O5x O    22.0476  -11.7815
            44  C1z C    26.3487  -23.4960
            45  C1y C    27.5435  -21.4736
            46  C1y C    19.5647  -17.4931
            47  C1a C    31.2909  -19.0375
            48  C1a C    31.3609  -20.4654
            49  C1y C    20.8178  -15.3599
            50  C1a C    19.5647  -13.2035
            51  C1y C    27.5318  -22.8316
            52  C1a C    27.2112  -24.6908
            53  O1a O    25.5153  -24.6208
            54  C1a C    28.6975  -20.7742
            55  C1z C    19.5647  -16.0710
            56  C1b C    18.3233  -18.2041
            57  O1a O    22.0417  -16.0651
            58  O1a O    28.6916  -23.4960
            59  C1a C    18.3642  -15.2726
            60  O1a O    19.6171  -14.6780
            61  C1a C    18.3117  -19.6377
BOND        64
            1     5   7 1 #Down
            2     5   6 1
            3     6   8 1 #Down
            4     1   2 1
            5     3   9 1 #Up
            6     1   3 1
            7     8  10 1
            8     2   4 1
            9     8  11 1
            10    3   5 1
            11    4   6 1
            12   12  13 1
            13   12  14 1 #Down
            14   12  15 1
            15   13  16 1
            16   13  17 1 #Down
            17   18  14 1 #Down
            18   15  19 1
            19   15  20 1 #Down
            20   15  21 1 #Up
            21   16  22 1 #Down
            22   16  23 1
            23   18  24 1
            24   18  25 1
            25   19  26 1
            26   27  22 1 #Down
            27   23  28 1
            28   23  29 1 #Up
            29   24  30 1
            30   24  31 1 #Up
            31   25  32 1
            32   26  33 1
            33   26  34 1 #Down
            34   27  35 1
            35   27  36 1
            36   28  37 1
            37   28  38 2
            38   30  39 1
            39   30  40 1 #Down
            40   32  41 1 #Down
            41   33  42 1
            42   33  43 2
            43   35  44 1
            44   36  45 1
            45   37  46 1
            46   40  47 1
            47   40  48 1
            48   42  49 1
            49   42  50 1 #Up
            50   44  51 1
            51   44  52 1 #Up
            52   44  53 1 #Down
            53   45  54 1 #Up
            54   46  55 1
            55   46  56 1 #Down
            56   49  57 1 #Up
            57   51  58 1 #Down
            58   55  59 1 #Down
            59   55  60 1 #Up
            60   56  61 1
            61   32  39 1
            62   45  51 1
            63   49  55 1
            64    2  21 1 #Down

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