KEGG   COMPOUND: C12285
Entry
C12285                      Compound                               
Name
Sucralose
Formula
C12H19Cl3O8
Exact mass
396.0146
Mol weight
397.6335
Structure
Pathway
map04973  Carbohydrate digestion and absorption
Other DBs
CAS: 56038-13-2
PubChem: 14429
ChEBI: 32159
PDB-CCD: 40J[PDBj]
NIKKAJI: J247.962A
KCF data

ATOM        23
            1   C1z C    25.2426  -20.6126
            2   C1y C    25.6008  -21.9583
            3   C1y C    26.9919  -21.9684
            4   C1y C    27.4887  -20.7377
            5   O2x O    26.4122  -19.8582
            6   C1y C    20.3397  -19.1998
            7   C1y C    20.4028  -20.6014
            8   C1y C    21.6141  -21.3120
            9   C1y C    22.8325  -20.6136
            10  O2x O    22.8396  -19.2119
            11  C1y C    21.6283  -18.5085
            12  O2a O    24.0440  -21.3242
            13  O1a O    21.6071  -22.7138
            14  O1a O    19.1843  -21.2998
            15  X   Cl   19.1984  -18.4963
            16  C1b C    21.6352  -17.1066
            17  C1b C    24.8977  -19.2613
            18  O1a O    27.7582  -23.2083
            19  C1b C    28.8431  -20.3700
            20  O1a O    24.7158  -23.0491
            21  X   Cl   29.2079  -19.0096
            22  X   Cl   25.5871  -18.0375
            23  O1a O    22.8536  -16.4084
BOND        24
            1     9  12 1 #Down
            2     1  12 1 #Down
            3     1   2 1
            4     8  13 1 #Down
            5     2   3 1
            6     7  14 1 #Up
            7     3   4 1
            8     6  15 1 #Up
            9     4   5 1
            10   11  16 1 #Up
            11    5   1 1
            12    1  17 1 #Up
            13    6   7 1
            14    3  18 1 #Up
            15    7   8 1
            16    4  19 1 #Down
            17    8   9 1
            18    2  20 1 #Down
            19    9  10 1
            20   19  21 1
            21   10  11 1
            22   17  22 1
            23   11   6 1
            24   16  23 1

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