Structure Database (LMSD)

Common Name
Lipoic acid
Systematic Name
1,2-dithiolane-3R-pentanoic acid
Synonyms
  • R-Lipoic acid
LM ID
LMFA01130001
Status
Active
Exact Mass
Calculate m/z
206.043524
Formula



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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

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

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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