Ligand Id: 911
Ligand name sphingosine 1-phosphate

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 17
Topological polar surface area 122.82
Molecular weight 379.25
XLogP 4.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands Radio analogues Suppliers
Classification
Compound class Metabolite or derivative
IUPAC Name
[(2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Synonyms
S1P
Database Links
BindingDB Ligand 50158348
ChEBI CHEBI:37550
ChEMBL Ligand 474212
PubChem CID 5283560
RCSB PDB Ligand S1P
Search Google for chemical match using the InChIKey DUYSYHSSBDVJSM-KRWOKUGFSA-N
Search Google for chemicals with the same backbone DUYSYHSSBDVJSM
Wikipedia Sphingosine-1-phosphate
ZINC ZINC08860500
Comments
Sphingosine 1-phosphate (S1P) is a zwitterionic lyso-phospholipid product of the sphingosine biosynthetic pathway. It is a result of the phosphorylation of sphingosine by two well characterised kinases, SPHK1 and SPHK2 (sphingosine kinase 1 and 2). SPHK1 is predominately extracellular and SPHK1 intracellular. Sphingosine itself is produced by the N-deacylation of ceramide by the enzyme ceramidase.

Contact us | Print | Back to top | Help