KEGG   COMPOUND: C20985
Entry
C20985                      Compound                               

Name
2-Sulfotrehalose;
2-O-Sulfo-alpha,alpha-trehalose
Formula
C12H22O14S
Exact mass
422.073
Mol weight
422.3597
Structure
Reaction
Enzyme
2.3.1.288       2.8.2.37
Other DBs
PubChem: 254741444
KCF data

ATOM        27
            1   C1y C    19.8279  -15.4642
            2   O2a O    18.6201  -16.1701
            3   O2x O    21.0473  -16.1701
            4   C1y C    19.8279  -14.0639
            5   C1y C    17.4123  -16.8760
            6   C1y C    22.2551  -15.4642
            7   C1y C    21.0473  -13.3695
            8   O1a O    18.6201  -13.3695
            9   O2x O    16.1929  -16.1701
            10  C1y C    17.4123  -18.2763
            11  C1y C    22.2551  -14.0639
            12  C1b C    23.4686  -16.1701
            13  O1a O    21.0473  -11.9691
            14  C1y C    14.9851  -16.8760
            15  C1y C    16.1929  -18.9707
            16  O2a O    18.6201  -18.9707
            17  O1a O    23.4686  -13.3695
            18  O1a O    24.5305  -15.2600
            19  C1y C    14.9851  -18.2763
            20  C1b C    13.7716  -16.1701
            21  O1a O    16.1929  -20.3710
            22  O1a O    13.7716  -18.9707
            23  O1a O    12.7097  -17.0862
            24  S4a S    20.0201  -18.9707
            25  O1d O    20.0201  -20.3707
            26  O1d O    20.0201  -17.5707
            27  O1d O    21.4201  -18.9707
BOND        28
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     5   2 1 #Down
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 1
            14   10  15 1
            15   10  16 1 #Down
            16   11  17 1 #Down
            17   12  18 1
            18   14  19 1
            19   14  20 1 #Up
            20   15  21 1 #Up
            21   19  22 1 #Down
            22   20  23 1
            23    7  11 1
            24   15  19 1
            25   16  24 1
            26   24  25 2
            27   24  26 2
            28   24  27 1

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