Structure Database (LMSD)

Common Name
S-Acetyldihydrolipoamide
Systematic Name
6-(acetylsulfanyl)-8-sulfanyloctanamide
Synonyms
LM ID
LMFA08010023
Status
Active
Exact Mass
Calculate m/z
249.085723
Formula
C10H19NO2S2
Show lipids differing only in stereochemistry/bond geometry
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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]
Thia fatty acids [FA0113]

String Representations

InChiKey (Click to copy)
ARGXEXVCHMNAQU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)
SMILES (Click to copy)
C(CC(SC(C)=O)CCS)CCC(N)=O

References

Other Databases

KEGG ID
C01136
HMDB ID
HMDB0001526
CHEBI ID
16807
PubChem CID
1076

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 241.88
Topological Polar Surface Area 60.16
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.57
Molar Refractivity 69.19

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Updated at
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