Structure Database (LMSD)

NH 2 O SH HS
Common Name
(R)-dihydrolipoamide
Systematic Name
(6R)-6,8-disulfanyloctanamide
Synonyms
  • (R)-dihydrolipoamide
  • 6,8-DIMERCAPTO-OCTANOIC ACID AMIDE
LM ID
LMFA08010014
Formula
C8H17NOS2
Exact Mass
Calculate m/z
207.075158
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]
Thia fatty acids [FA0113]

String Representations

InChiKey (Click to copy)
VLYUGYAKYZETRF-SSDOTTSWSA-N
InChi (Click to copy)
InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m1/s1
SMILES (Click to copy)
NC(CCCC[C@H](CCS)S)=O

References

Other Databases

CHEBI ID
43711
PubChem CID
445160
PDB ID
LPM

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 201.13
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.22
Molar Refractivity 59.91

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Updated at
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