KEGG   COMPOUND: C14872Help
Entry
C14872                      Compound                               

Name
Thiodiacetic acid
Formula
C4H6O4S
Exact mass
149.9987
Mol weight
150.153
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Metabolism of xenobiotics by cytochrome P450
Other DBs
CAS: 
123-93-3
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        9
            1   O6a O    10.0100  -14.0700
            2   C6a C    11.2224  -13.3700
            3   C1b C    12.4349  -14.0700
            4   S2a S    13.6473  -13.3700
            5   C1b C    14.8597  -14.0700
            6   C6a C    16.0722  -13.3700
            7   O6a O    17.2846  -14.0700
            8   O6a O    11.2224  -11.9702
            9   O6a O    16.0722  -11.9703
BOND        8
            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

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