KEGG   COMPOUND: C12379
Entry
C12379                      Compound                               

Name
8-Demethyltetracenomycin C
Formula
C22H18O11
Exact mass
458.0849
Mol weight
458.3717
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00783  Tetracenomycin C/8-demethyltetracenomycin C biosynthesis, tetracenomycin F2 => tetracenomycin C/8-demethyltetracenomycin C
M00784  Elloramycin biosynthesis, 8-demethyltetracenomycin C => elloramycin A
Enzyme
Other DBs
PubChem: 582769
ChEBI: 31144
NIKKAJI: J1.013.526E
KCF data

ATOM        33
            1   O1a O    53.2966  -22.2930
            2   C8x C    48.5319  -22.2768
            3   C2y C    42.5646  -22.9596
            4   C1y C    43.7645  -22.2740
            5   C1z C    44.9547  -22.9596
            6   C5x C    46.1449  -22.2834
            7   C8y C    47.3448  -22.9690
            8   C2x C    42.5604  -24.5403
            9   C8y C    49.7160  -22.9786
            10  C8x C    50.9158  -22.2834
            11  C8y C    52.1064  -22.9786
            12  C5x C    43.7549  -25.2355
            13  C1z C    44.9451  -24.5499
            14  C5x C    46.1356  -25.2451
            15  C8y C    47.3355  -24.5595
            16  C8y C    48.5257  -25.2545
            17  C8y C    49.7066  -24.5689
            18  C8y C    50.9065  -25.2641
            19  C8y C    52.1064  -24.5689
            20  O5x O    43.7453  -26.6164
            21  O5x O    46.1260  -26.6258
            22  O1a O    48.5161  -26.6354
            23  C1a C    50.8969  -26.6354
            24  O2a O    41.3647  -22.2740
            25  C7a C    53.3009  -25.2570
            26  O7a O    54.4928  -24.5641
            27  O6a O    53.3037  -26.6377
            28  C1a C    40.1751  -22.9708
            29  O1a O    43.7549  -20.8932
            30  O1a O    44.9357  -25.9307
            31  O1a O    44.9451  -21.5788
            32  O5x O    46.1356  -20.9028
            33  C1a C    55.6864  -25.2487
BOND        36
            1    10  11 2
            2     8  12 1
            3    12  13 1
            4    13  14 1
            5    14  15 1
            6    15  16 1
            7    16  17 2
            8    17  18 1
            9    18  19 2
            10    3   4 1
            11   12  20 2
            12   14  21 2
            13    4   5 1
            14   16  22 1
            15   18  23 1
            16    5   6 1
            17    3  24 1
            18    5  13 1
            19    7  15 2
            20    9  17 1
            21   11  19 1
            22   19  25 1
            23    6   7 1
            24   25  26 1
            25    7   2 1
            26   25  27 2
            27   11   1 1
            28   24  28 1
            29    3   8 2
            30    4  29 1 #Up
            31   13  30 1 #Up
            32    2   9 2
            33    5  31 1 #Up
            34    9  10 1
            35    6  32 2
            36   26  33 1

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