KEGG   COMPOUND: C20977Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00784  Elloramycin biosynthesis, 8-demethyltetracenomycin C => elloramycin A
Enzyme
2.1.1.307       2.1.1.-
Other DBs
PubChem: 254741436
KCF data Show

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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