KEGG   COMPOUND: C20977
Entry
C20977                      Compound                               

Name
8-Demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C
Formula
C31H34O15
Exact mass
646.1898
Mol weight
646.5927
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00784  Elloramycin biosynthesis, 8-demethyltetracenomycin C => elloramycin A
Enzyme
2.1.1.307       2.1.1.-
Other DBs
PubChem: 254741436
KCF data

ATOM        46
            1   C2y C    11.9568  -17.1964
            2   C2x C    11.9568  -18.5943
            3   C5x C    13.1674  -19.2932
            4   C1z C    14.3781  -18.5943
            5   C1z C    14.3781  -17.1964
            6   C1y C    13.1674  -16.4975
            7   C5x C    15.5886  -19.2932
            8   C8y C    16.7993  -18.5943
            9   C8y C    16.7993  -17.1964
            10  C5x C    15.5886  -16.4975
            11  C8y C    18.0099  -19.2932
            12  C8y C    19.2205  -18.5943
            13  C8y C    19.2205  -17.1964
            14  C8x C    18.0099  -16.4975
            15  C8y C    20.4311  -19.2932
            16  C8y C    21.6417  -18.5943
            17  C8y C    21.6417  -17.1964
            18  C8x C    20.4311  -16.4975
            19  O2a O    10.7464  -16.4975
            20  C1a C     9.5527  -17.1868
            21  O5x O    15.5886  -15.0996
            22  O5x O    15.5886  -20.6912
            23  O5x O    13.1674  -20.6910
            24  O1a O    13.1674  -15.0998
            25  O1a O    14.3781  -15.7985
            26  O1a O    14.3781  -19.9922
            27  O1a O    18.0099  -20.6909
            28  C1a C    20.4311  -20.6911
            29  O2a O    22.8749  -16.4841
            30  C7a C    22.8749  -19.3065
            31  O7a O    24.0804  -18.6109
            32  C1a C    25.2598  -19.2921
            33  O6a O    22.8745  -20.6911
            34  C1y C    24.0855  -15.7851
            35  O2x O    25.3266  -16.5017
            36  C1y C    26.5372  -15.8029
            37  C1y C    26.5373  -14.4050
            38  C1y C    25.2964  -13.6885
            39  C1y C    24.0857  -14.3872
            40  C1a C    27.7663  -16.5130
            41  O2a O    25.2966  -12.3038
            42  O2a O    22.9056  -13.7057
            43  O2a O    27.7703  -13.6932
            44  C1a C    21.6672  -14.4208
            45  C1a C    26.5291  -11.5920
            46  C1a C    29.0092  -14.4081
BOND        50
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   12  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   13  18 1
            22    1  19 1
            23   19  20 1
            24   10  21 2
            25    7  22 2
            26    3  23 2
            27    6  24 1 #Up
            28    5  25 1 #Up
            29    4  26 1 #Up
            30   11  27 1
            31   15  28 1
            32   17  29 1
            33   16  30 1
            34   30  31 1
            35   31  32 1
            36   30  33 2
            37   34  29 1 #Up
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   34  39 1
            44   36  40 1 #Down
            45   38  41 1 #Down
            46   39  42 1 #Down
            47   37  43 1 #Up
            48   42  44 1
            49   41  45 1
            50   43  46 1

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