Marvin  06060617152D          

  8  7  0  0  1  0            999 V2000
    1.7862    0.2062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  1  0  0  0
M  END
> <ID>
CHEBI:42106

> <NAME>
L-1,4-dithiothreitol

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42102; CHEBI:32885

> <SYNONYM>
threo-1,4-Dimercapto-2,3-butanediol; L-threo-1,4-dimercapto-2,3-butanediol; L-DTT; L-dithiothreitol; L-1,4-dithiothreitol; DL-threo-1,4-Dimercapto-2,3-butanediol; 2,3-DIHYDROXY-1,4-DITHIOBUTANE; 1,4-Dithiothreitol; (2R,3R)-1,4-dimercaptobutane-2,3-diol

> <IUPAC_NAME>
(2R,3R)-1,4-disulfanylbutane-2,3-diol

> <FORMULA>
C4H10O2S2

> <MASS>
154.25300

> <MONOISOTOPIC_MASS>
154.01222

> <CHARGE>
0

> <SMILES>
O[C@@H](CS)[C@@H](O)CS

> <INCHI>
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1

> <INCHIKEY>
VHJLVAABSRFDPM-IMJSIDKUSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2036371

> <CAS_REGISTRY_NUMBER>
3483-12-3

> <GMELIN_REGISTRY_NUMBER>
2859

> <CHEMIDPLUS>
16096-97-2

> <KEGG_COMPOUND_ACCESSION>
C00265

> <PDBECHEM_ACCESSION>
DTT

> <WIKIPEDIA_ACCESSION>
Dithiothreitol

$$$$