ChEBI


 18 17  0  0  0  0  0  0  0  0  1 V2000
    7.3625  -15.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5143  -16.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6661  -15.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8179  -16.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9697  -15.6006    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1215  -16.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2733  -15.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4251  -16.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5770  -15.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7288  -16.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8806  -15.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0324  -16.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1842  -15.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3360  -16.2656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8179  -17.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4251  -17.5956    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.1842  -14.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6661  -14.2706    0.0000 C   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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
 18  3  1  0  0  0  0
M  END
> <ID>
CHEBI:28692

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:22012; CHEBI:8929

> <SYNONYM>
S-(2-Methylbutanoyl)-dihydrolipoamide

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

> <FORMULA>
C13H25NO2S2

> <MASS>
291.47514

> <MONOISOTOPIC_MASS>
291.13267

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)

> <INCHIKEY>
UFNCWFSSEGPJNL-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C05118

$$$$