Marvin  09150817272D          
 
 17 16  0  0  0  0            999 V2000
    2.8579   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1904    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2221    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.2221    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2868   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0154    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 17  2  0  0  0  0
  3 14  1  0  0  0  0
  3  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
  8  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  2  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
> <ID>
CHEBI:17577

> <NAME>
S(8)-(2-methylpropanoyl)dihydrolipoamide

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8930; CHEBI:12733; CHEBI:22013

> <SYNONYM>
S-(2-Methylpropionyl)-dihydrolipoamide; S-(2-Methylpropanoyl)-dihydrolipoamide

> <IUPAC_NAME>
S-(8-amino-8-oxo-3-sulfanyloctyl) 2-methylpropanethioate

> <FORMULA>
C12H23NO2S2

> <MASS>
277.44856

> <MONOISOTOPIC_MASS>
277.11702

> <CHARGE>
0

> <SMILES>
CC(C)C(=O)SCCC(S)CCCCC(N)=O

> <INCHI>
InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)

> <INCHIKEY>
UEFURMXXHJCLJP-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C04424

$$$$