Structure database (LMSD)

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LM IDLMFA08010022
Common NameS-(2-Methylpropionyl)-dihydrolipoamide-E
Systematic Name8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
Synonyms-
Exact Mass
277.1170 (neutral)    Calculate m/z:
FormulaC12H23NO2S2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
Alternative ClassesBranched fatty acids[FA0102], Amino fatty acids[FA0110], Thia fatty acids[FA0113]
PubChem CID11953835
KEGG IDC04424
HMDB IDHMDB0006868
CHEBI ID17577
InChIKeyUEFURMXXHJCLJP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)
SMILESC(CCCC(CCSC(C(C)C)=O)S)C(N)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
276.48Topological Polar
Surface Area
60.16Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.21Molar
Refractivity
78.36