KEGG   COMPOUND: C21349Help
Entry
C21349                      Compound                               

Name
dTDP-4-deoxy-4-thio-alpha-D-digitoxose
Formula
C16H26N2O13P2S
Exact mass
548.0631
Mol weight
548.3958
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00523  Polyketide sugar unit biosynthesis
map01059  Biosynthesis of enediyne antibiotics
map01130  Biosynthesis of antibiotics
Enzyme
2.4.1.-
Other DBs
PubChem: 319902588
KCF data Show

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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