KEGG   COMPOUND: C21349
Entry
C21349                      Compound                               

Name
dTDP-4-deoxy-4-thio-alpha-D-digitoxose
Formula
C16H26N2O13P2S
Exact mass
548.0631
Mol weight
548.3958
Structure
Reaction
Pathway
map00523  Polyketide sugar unit biosynthesis
map01059  Biosynthesis of enediyne antibiotics
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.-
Other DBs
PubChem: 319902588
KCF data

ATOM        34
            1   C1y C    24.1104  -15.6509
            2   N4y N    25.4525  -15.2114
            3   O2x O    23.0145  -14.8479
            4   C1x C    23.6943  -17.0282
            5   C8y C    26.5075  -16.1491
            6   C8x C    25.7457  -13.8338
            7   C1y C    21.8656  -15.6861
            8   C1y C    22.2877  -17.0282
            9   N4x N    27.8555  -15.7035
            10  O5x O    26.2322  -17.5206
            11  C8y C    27.0760  -13.3885
            12  C1b C    20.5293  -15.2523
            13  O1a O    21.4553  -18.1535
            14  C8y C    28.1428  -14.3263
            15  C1a C    27.3516  -12.0111
            16  O2b O    19.4861  -16.1900
            17  O5x O    29.4791  -13.8867
            18  P1b P    18.0853  -16.1900
            19  O2c O    16.6845  -16.1900
            20  O1c O    18.0794  -17.5909
            21  O1c O    18.0794  -14.7893
            22  P1b P    15.2778  -16.1900
            23  O2b O    13.8771  -16.1900
            24  O1c O    15.2720  -17.5909
            25  O1c O    15.2720  -14.7893
            26  C1y C    12.6873  -16.8758
            27  C1x C    12.6755  -18.2591
            28  O2x O    11.4975  -16.1842
            29  C1y C    11.4740  -18.9448
            30  C1y C    10.2959  -16.8582
            31  C1y C    10.2842  -18.2414
            32  O1a O    11.4623  -20.3456
            33  C1a C     9.1119  -16.1725
            34  S1a S     9.0598  -18.9330
BOND        36
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1 #Up
            12    8  13 1 #Down
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   14  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   26  23 1 #Down
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   29  32 1 #Down
            32   30  33 1 #Up
            33    7   8 1
            34   11  14 1
            35   30  31 1
            36   31  34 1 #Down

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