KEGG   COMPOUND: C18635Help
Entry
C18635                      Compound                               

Name
Aclacinomycin S;
L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone
Formula
C36H45NO13
Exact mass
699.2891
Mol weight
699.7414
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
PubChem: 124489309
ChEBI: 79176
KCF data Show

ATOM        50
            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  O1a O    23.5932  -25.0057
            50  O1a O    25.9411  -26.3868
BOND        55
            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

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