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
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, CHEBI:288447
ChEMBL Ligand 288447, 392583, 405873, 474212, 225984, 226466, 286062
PubChem CID 5283560
RCSB PDB Ligand S1P
Search on ChemSpider DUYSYHSSBDVJSM-KRWOKUGFSA-N
Wikipedia Sphingosine-1-phosphate
ZINC ZINC08860500

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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.

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