KEGG   COMPOUND: C14872
Entry
C14872                      Compound                               

Name
Thiodiacetic acid
Formula
C4H6O4S
Exact mass
149.9987
Mol weight
150.153
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
CAS: 123-93-3
PubChem: 17395870
ChEBI: 35012
ChEMBL: CHEMBL1570500
PDB-CCD: 9X6[PDBj]
NIKKAJI: J5.546H
KCF data

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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