RefMet Compound Details

MW structure1887 (View MW Metabolite Database details)
RefMet nameLipoic acid
Systematic name1,2-dithiolane-3R-pentanoic acid
SMILESC(CCC(=O)O)C[C@@H]1CCSS1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass206.043524 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H14O2S2View other entries in RefMet with this formula
InChIKeyAGBQKNBQESQNJD-SSDOTTSWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassThia FA
Pubchem CID6112
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Lipoic acid

Rxn IDKEGG ReactionEnzyme
R07770 ATP + (R)-Lipoate <=> Diphosphate + Lipoyl-AMPATP + (R)-Lipoate <=> Diphosphate + Lipoyl-AMP

Table of KEGG human pathways containing Lipoic acid

Pathway IDHuman Pathway# of reactions
hsa00785 Lipoic acid metabolism 1