KEGG   COMPOUND: C12379Help
Entry
C12379                      Compound                               

Name
8-Demethyltetracenomycin C
Formula
C22H18O11
Exact mass
458.0849
Mol weight
458.3717
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
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 Show

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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