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
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
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
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Created at
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Updated at
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