Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08010023
Common NameS-Acetyldihydrolipoamide
Systematic Name6-(acetylsulfanyl)-8-sulfanyloctanamide
Synonyms-
Exact Mass
249.0857 (neutral)    Calculate m/z:
FormulaC10H19NO2S2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
Alternative ClassesThia fatty acids[FA0113]
PubChem CID1076
KEGG IDC01136
HMDB IDHMDB0001526
CHEBI ID16807
InChIKeyARGXEXVCHMNAQU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,1
1,13)
SMILESC(CC(SC(C)=O)CCS)CCC(N)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
241.88Topological Polar
Surface Area
60.16Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.57Molar
Refractivity
69.19