KEGG   COMPOUND: C14873
Entry
C14873                      Compound                               

Name
Thiodiacetic acid sulfoxide
Formula
C4H6O5S
Exact mass
165.9936
Mol weight
166.1524
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
CAS: 33388-14-6
PubChem: 17395871
ChEBI: 35013
NIKKAJI: J437.664A
KCF data

ATOM        10
            1   O6a O    18.4805  -17.2206
            2   C6a C    19.6929  -16.5206
            3   C1b C    20.9055  -17.2206
            4   S4a S    22.1179  -16.5206
            5   C1b C    23.3304  -17.2206
            6   C6a C    24.5429  -16.5206
            7   O6a O    25.7554  -17.2206
            8   O6a O    19.6929  -15.1207
            9   O6a O    24.5429  -15.1208
            10  O3c O    22.1179  -15.1200
BOND        9
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 2
            8     6   9 2
            9     4  10 2

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