1-stearoyl-lysophosphatidylcholine

Ligand id: 5651

Name: 1-stearoyl-lysophosphatidylcholine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 26
Topological polar surface area 114.93
Molecular weight 523.36
XLogP 6.6
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-trimethylazaniumylethyl phosphate
Synonyms
LPC 18:0 | lysophosphatidylcholine (18:0) | stearoyl alpha-lysolecithin
Database Links
CAS Registry No. 17364-19-1 (source: Scifinder)
ChEBI CHEBI:64561
ChEMBL Ligand CHEMBL3093101
PubChem CID 497299
Search Google for chemical match using the InChIKey IHNKQIMGVNPMTC-RUZDIDTESA-N
Search Google for chemicals with the same backbone IHNKQIMGVNPMTC
Search UniChem for chemical match using the InChIKey IHNKQIMGVNPMTC-RUZDIDTESA-N
Search UniChem for chemicals with the same backbone IHNKQIMGVNPMTC
Comments
The saturated C18 chain acyl group can be attached to either of the oxygen atoms in the glycero moiety.