lipoic acid

Ligand id: 4822

Name: lipoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 87.9
Molecular weight 206.04
XLogP 2.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
Synonyms
α-lipoic acid | lipoate | tioctic acid
Database Links
CAS Registry No. 1200-22-2 (source: Scifinder)
ChEBI CHEBI:30314
ChEMBL Ligand CHEMBL134342
DrugBank Ligand DB00166
PubChem CID 6112
RCSB PDB Ligand LPA
Search Google for chemical match using the InChIKey AGBQKNBQESQNJD-SSDOTTSWSA-N
Search Google for chemicals with the same backbone AGBQKNBQESQNJD
Search UniChem for chemical match using the InChIKey AGBQKNBQESQNJD-SSDOTTSWSA-N
Search UniChem for chemicals with the same backbone AGBQKNBQESQNJD
Wikipedia Lipoic_acid