KEGG   COMPOUND: C20976
Entry
C20976                      Compound                               

Name
8-Demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C
Formula
C30H32O15
Exact mass
632.1741
Mol weight
632.5661
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
2.1.1.306       2.1.1.307
Other DBs
PubChem: 254741435
LinkDB
KCF data

ATOM        45
            1   C2y C    11.8909  -16.8521
            2   C2x C    11.8909  -18.2505
            3   C5x C    13.1019  -18.9497
            4   C1z C    14.3130  -18.2505
            5   C1z C    14.3130  -16.8521
            6   C1y C    13.1019  -16.1530
            7   C5x C    15.5239  -18.9497
            8   C8y C    16.7350  -18.2505
            9   C8y C    16.7350  -16.8521
            10  C5x C    15.5239  -16.1530
            11  C8y C    17.9460  -18.9497
            12  C8y C    19.1570  -18.2505
            13  C8y C    19.1570  -16.8521
            14  C8x C    17.9460  -16.1530
            15  C8y C    20.3680  -18.9497
            16  C8y C    21.5791  -18.2505
            17  C8y C    21.5791  -16.8521
            18  C8x C    20.3680  -16.1530
            19  O2a O    10.6800  -16.1530
            20  C1a C     9.4859  -16.8425
            21  O5x O    15.5239  -14.7546
            22  O5x O    15.5239  -20.3481
            23  O5x O    13.1019  -20.3479
            24  O1a O    13.1019  -14.7548
            25  O1a O    14.3130  -15.4538
            26  O1a O    14.3130  -19.6489
            27  O1a O    17.9460  -20.3478
            28  C1a C    20.3680  -20.3480
            29  O2a O    22.8127  -16.1396
            30  C7a C    22.8127  -18.9630
            31  O7a O    24.0186  -18.2671
            32  C1a C    25.1984  -18.9486
            33  O6a O    22.8123  -20.3480
            34  C1y C    24.0237  -15.4404
            35  O2x O    25.2652  -16.1572
            36  C1y C    26.4762  -15.4582
            37  C1y C    26.4763  -14.0598
            38  C1y C    25.2350  -13.3430
            39  C1y C    24.0239  -14.0420
            40  C1a C    27.7057  -16.1685
            41  O2a O    25.2352  -11.9579
            42  O2a O    22.8434  -13.3603
            43  O1a O    27.7097  -13.3477
            44  C1a C    21.6046  -14.0756
            45  C1a C    26.4681  -11.2458
BOND        49
            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

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