KEGG   COMPOUND: C18637Help
Entry
C18637                      Compound                               

Name
Aclacinomycin N
Formula
C42H55NO15
Exact mass
813.3572
Mol weight
813.8838
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
PubChem: 124489311
ChEBI: 75091
KCF data Show

ATOM        58
            1   C1y C    29.5320  -20.1718
            2   C1y C    29.5320  -21.5529
            3   C1y C    30.7059  -22.2435
            4   C1x C    31.9489  -21.5529
            5   C1y C    31.9489  -20.1718
            6   O2x O    30.7059  -19.4812
            7   C1a C    28.3580  -19.4812
            8   O2a O    28.3580  -22.2435
            9   N1c N    30.7059  -23.6246
            10  C1a C    29.5320  -24.3151
            11  C1a C    31.8798  -24.3151
            12  O2a O    33.1228  -19.4812
            13  C8x C    24.7671  -14.7164
            14  C8x C    24.7671  -16.0975
            15  C8y C    25.9411  -16.7881
            16  C8y C    27.1841  -16.0975
            17  C8y C    27.1841  -14.7164
            18  C8x C    25.9411  -14.0259
            19  C5x C    28.3580  -16.7881
            20  C8y C    29.5320  -16.0975
            21  C8y C    29.5320  -14.7164
            22  C5x C    28.3580  -14.0259
            23  C8y C    30.7750  -16.7881
            24  C8y C    31.9489  -16.0975
            25  C8y C    31.9489  -14.7164
            26  C8x C    30.7750  -14.0259
            27  C1y C    33.1228  -16.7881
            28  C1x C    34.3658  -16.0975
            29  C1z C    34.3658  -14.7164
            30  C1y C    33.1228  -14.0259
            31  O5x O    28.3580  -12.6448
            32  O5x O    28.3580  -18.1692
            33  O1a O    25.9411  -18.1692
            34  O1a O    30.7750  -18.1692
            35  C7a C    33.1228  -12.6448
            36  O6a O    31.9489  -11.9542
            37  O7a O    34.2968  -11.9542
            38  C1a C    34.2968  -10.5731
            39  O1a O    35.5398  -15.4070
            40  C1b C    35.5398  -14.0259
            41  C1a C    35.5398  -12.6448
            42  C1y C    24.7671  -22.9340
            43  C1y C    24.7671  -24.3151
            44  C1y C    25.9411  -25.0057
            45  C1x C    27.1841  -24.3151
            46  C1y C    27.1841  -22.9340
            47  O2x O    25.9411  -22.2435
            48  C1a C    23.5932  -22.2435
            49  O2a O    23.5932  -25.0057
            50  O1a O    25.9411  -26.3868
            51  C1y C    20.0023  -25.6962
            52  C1y C    20.0023  -27.0773
            53  C1x C    21.1763  -27.7679
            54  C1x C    22.4193  -27.0773
            55  C1y C    22.4193  -25.6962
            56  O2x O    21.1763  -25.0057
            57  C1a C    18.8284  -25.0057
            58  O1a O    18.8284  -27.7679
BOND        64
            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     1   7 1 #Down
            8     2   8 1 #Down
            9     3   9 1 #Down
            10    9  10 1
            11    9  11 1
            12    5  12 1 #Up
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   13  18 2
            19   16  19 1
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   17  22 1
            24   20  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   21  26 1
            29   24  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   25  30 1
            34   22  31 2
            35   19  32 2
            36   15  33 1
            37   23  34 1
            38   27  12 1 #Down
            39   30  35 1 #Up
            40   35  36 2
            41   35  37 1
            42   37  38 1
            43   29  39 1 #Down
            44   29  40 1 #Up
            45   40  41 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   46  47 1
            51   42  47 1
            52   42  48 1 #Down
            53   43  49 1 #Down
            54   44  50 1 #Down
            55   46   8 1 #Up
            56   51  52 1
            57   52  53 1
            58   53  54 1
            59   54  55 1
            60   55  56 1
            61   51  56 1
            62   55  49 1 #Up
            63   51  57 1 #Down
            64   52  58 1 #Down

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