Structure Database (LMSD)

S O O SH NH 2
Common Name
S-(2-Methylpropionyl)-dihydrolipoamide-E
Systematic Name
8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
Synonyms
LM ID
LMFA08010022
Formula
C12H23NO2S2
Exact Mass
Calculate m/z
277.117023
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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

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Updated at
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