Marvin  06060617162D          

  8  7  0  0  1  0            999 V2000
   -1.7862   -0.2063    0.0000 S   0  0  0  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
   -0.3572   -0.2063    0.0000 C   0  0  1  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
    1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 S   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
   -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  6  0  0  0
  3  8  1  1  0  0  0
M  END
> <ID>
CHEBI:17456

> <NAME>
dithioerythritol

> <DEFINITION>
The meso-diastereomer of 1,4-dimercaptobutane-2,3-diol; a sulfur-containing sugar derived from the monosaccharide erythrose; and an epimer of dithiothreitol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42239; CHEBI:4662; CHEBI:14184; CHEBI:23851

> <SYNONYM>
erythro-1,4-Dimercapto-2,3-butanediol; DTE; dithioerythritol; Dithioerythritol; 1,4-dithioerythritol; (2R,3S)-1,4-dimercaptobutane-2,3-diol; (2R*,3S*)-1,4-dimercapto-2,3-butanediol

> <IUPAC_NAME>
(2R,3S)-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+

> <INCHIKEY>
VHJLVAABSRFDPM-ZXZARUISSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1719756

> <CAS_REGISTRY_NUMBER>
6892-68-8

> <GMELIN_REGISTRY_NUMBER>
863505

> <REAXYS_REGISTRY_NUMBER>
1719756

> <CHEMIDPLUS>
6892-68-8

> <DRUGBANK_ACCESSION>
DB01692

> <KEGG_COMPOUND_ACCESSION>
C00950

> <PDBECHEM_ACCESSION>
DTU

> <WIKIPEDIA_ACCESSION>
Dithioerythritol

> <PUBMED_CITATION>
14192894; 16901854; 22684514; 22845804; 23402788

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