squalene

Ligand id: 3054

Name: squalene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 15
Topological polar surface area 0
Molecular weight 410.39
XLogP 11.48
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
Synonyms
all-trans-squalene | spinacene | trans-squalene
Database Links
CAS Registry No. 111-02-4 (source: Scifinder)
ChEBI CHEBI:15440
ChEMBL Ligand CHEMBL458402
PubChem CID 638072
RCSB PDB Ligand SQL
Search Google for chemical match using the InChIKey YYGNTYWPHWGJRM-AAJYLUCBSA-N
Search Google for chemicals with the same backbone YYGNTYWPHWGJRM
Search UniChem for chemical match using the InChIKey YYGNTYWPHWGJRM-AAJYLUCBSA-N
Search UniChem for chemicals with the same backbone YYGNTYWPHWGJRM
Wikipedia Squalene