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Name | sphingosylphosphorylcholine |
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Molecular formula | C23H49N2O5P |
IUPAC name | [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate |
Molecular weight | 464.628 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.7 |
Synonyms | 2-[[[[(2S,3R,4E)-2-Amino-3-hydroxy-4-octadecen-1-yl]oxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-ethanaminium CHEMBL1481114 Lyso SM (d18:1) NCGC00161365-01 sphingosylphosphocholine betaine [ Show all ] |
Inchi Key | JLVSPVFPBBFMBE-HXSWCURESA-N |
Inchi ID | InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/b18-17+/t22-,23+/m0/s1 |
PubChem CID | 9847290 |
ChEMBL | N/A |
IUPHAR | 4032 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
554037 | G-protein coupled receptor 12 | P47775 | GPR12 | Homo sapiens (Human) | 334 |
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