Marvin  03120714222D          

 12 11  0  0  0  0            999 V2000
   -0.3572    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  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   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
   -2.5006   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
 10  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
 11  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 12  2  0  0  0  0
M  END
> <ID>
CHEBI:45230

> <NAME>
(R)-dihydrolipoic acid

> <DEFINITION>
The (R)-enantiomer and bioactive form of dihydrolipoic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45226; CHEBI:30317

> <SYNONYM>
RDHLA; DIHYDROLIPOIC ACID; (R)-DHLA; (R)-6,8-Dihydrothioctic acid; (6R)-DHLA; (6R)-6,8-dimercaptooctanoic acid; (6R)-6,8-dihydrothioctic acid

> <IUPAC_NAME>
(6R)-6,8-disulfanyloctanoic acid

> <FORMULA>
C8H16O2S2

> <MASS>
208.34344

> <MONOISOTOPIC_MASS>
208.05917

> <CHARGE>
0

> <SMILES>
OC(=O)CCCC[C@@H](S)CCS

> <INCHI>
InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1

> <INCHIKEY>
IZFHEQBZOYJLPK-SSDOTTSWSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1722776

> <METACYC_ACCESSION>
CPD-296

> <PDBECHEM_ACCESSION>
RED

> <PUBMED_CITATION>
17134844; 7651213

$$$$