Structure Database (LMSD)

Common Name
S-(2-Methylpropionyl)-dihydrolipoamide-E
Systematic Name
8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
Synonyms
LM ID
LMFA08010022
Status
Active
Exact Mass
Calculate m/z
277.117023
Formula
C12H23NO2S2
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Primary amides [FA0801]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Amino fatty acids [FA0110]
Thia fatty acids [FA0113]

String Representations

InChiKey (Click to copy)
UEFURMXXHJCLJP-UHFFFAOYSA-N
InChi (Click to copy)
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)
SMILES (Click to copy)
C(CCCC(CCSC(C(C)C)=O)S)C(N)=O

References

Other Databases

KEGG ID
C04424
HMDB ID
HMDB0006868
CHEBI ID
17577
PubChem CID
11953835

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 276.48
Topological Polar Surface Area 60.16
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.21
Molar Refractivity 78.36

Admin

Created at
-
Updated at
-