dihydrosp​hingosine​-1-phosph​ate

Ligand Id: 2921
Ligand name dihydrosp​hingosine​-1-phosph​ate

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 18
Topological polar surface area 122.82
Molecular weight 381.26
XLogP 5.04
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
[(2S,3R)-2-amino-3-hydroxyoctadecyl] dihydrogen phosphate
Synonyms
dihydroS1P
sphingani​ne 1-phos​phate
sphingani​ne-phosph​ate
Database Links
CAS Registry No. 19794-97-9 (source: Scifinder)
ChEBI CHEBI:16893
ChEMBL Ligand CHEMBL78494
Human Metabolome Database HMDB01383
PubChem CID 644260
Search Google for chemical match using the InChIKey YHEDRJPUIRMZMP-ZWKOTPCHSA-N
Search Google for chemicals with the same backbone YHEDRJPUIRMZMP