(S)-2,3-epoxysqualene

Ligand id: 6551

Name: (S)-2,3-epoxysqualene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 15
Topological polar surface area 12.53
Molecular weight 426.39
XLogP 10.15
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(3S)-2,2-dimethyl-3-[(7E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
Synonyms
(S)-2,3-epoxysqualene
squalene 2,3-epoxide
Database Links
CAS Registry No. 7200-26-2 (source: Scifinder)
ChEBI CHEBI:15441
Human Metabolome Database HMDB01188
PubChem CID 5459811
RCSB PDB Ligand 2TX
Search Google for chemical match using the InChIKey QYIMSPSDBYKPPY-RSKUXYSASA-N
Search Google for chemicals with the same backbone QYIMSPSDBYKPPY
Wikipedia 2,3-Oxidosqualene