1D7I_DSS_A_301
  RCSB PDB12061702143D
Coordinates from PDB:1D7I:A:301 Model:1 without hydrogens
  6  5  0  0  0  0            999 V2000
   60.6710   -5.4620   -0.2410   S 0  0  0  0  0  0  0  0  0  0  0  0
   60.1490   -6.4880    0.7290   O 0  0  0  0  0  0  0  0  0  0  0  0
   59.8370   -5.6920   -1.8050   C 0  0  0  0  0  0  0  0  0  0  0  0
   59.9600   -3.9490    0.1630   C 0  0  0  0  0  0  0  0  0  0  0  0
   60.5040   -2.6040   -0.8980   S 0  0  0  0  0  0  0  0  0  0  0  0
   60.0500   -1.1960    0.2120   C 0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
A    1
S
A    2
O
A    3
C1
A    4
C2
A    5
S3
A    6
C4
M  END
>  <InstanceId>
1D7I_DSS_A_301

>  <ChemCompId>
DSS

>  <PdbId>
1D7I

>  <ChainId>
A

>  <ResidueNumber>
301

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C3 O S2

>  <Name>
METHYL METHYLSULFINYLMETHYL SULFIDE

>  <SystematicName>
[(S)-methylsulfinyl]methylsulfanylmethane

>  <Synonyms>


>  <Type>
NON-POLYMER

>  <Formula>
C3 H8 O S2

>  <MolecularWeight>
124.225

>  <ModifiedDate>
2012-01-05

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3/t6-/m0/s1

>  <InChIKey>
OTKFCIVOVKCFHR-LURJTMIESA-N

>  <SMILES>
CSC[S@@](=O)C

$$$$
