Marvin  09150816482D          
 
 19 18  0  0  0  0            999 V2000
    3.5724   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1925    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4289    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.1925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0176    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    1.0449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.0450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 16  1  0  0  0  0
  3  4  1  0  0  0  0
  5  2  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6 19  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
 13 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
> <ID>
CHEBI:17432

> <NAME>
S(8)-succinyldihydrolipoamide

> <STAR>
3

> <SECONDARY_ID>
CHEBI:22073; CHEBI:8971; CHEBI:12751

> <SYNONYM>
S-Succinyldihydrolipoamide

> <IUPAC_NAME>
4-[(8-amino-8-oxo-3-sulfanyloctyl)sulfanyl]-4-oxobutanoic acid

> <FORMULA>
C12H21NO4S2

> <MASS>
307.43148

> <MONOISOTOPIC_MASS>
307.09120

> <CHARGE>
0

> <SMILES>
NC(=O)CCCCC(S)CCSC(=O)CCC(O)=O

> <INCHI>
InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(18)7-8-19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)

> <INCHIKEY>
KWKBJWYJJBQOAE-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C01169

$$$$