Structure Database (LMSD)
Common Name
Lipoic acid
Systematic Name
1,2-dithiolane-3R-pentanoic acid
Synonyms
- R-Lipoic acid
3D model of Lipoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AGBQKNBQESQNJD-SSDOTTSWSA-N
InChi (Click to copy)
InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
SMILES (Click to copy)
OC(CCCC[C@@]1([H])SSCC1)=O
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
186.56
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.36
Molar Refractivity
55.56
Admin
Created at
-
Updated at
-