| PDB CCD ID: | SPU |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C23 H50 N2 O5 P |
| InChI: | 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/p+1/b18-17+/t22-,23+/m0/s1 |
| InChIKey: | JLVSPVFPBBFMBE-HXSWCURESA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O | | ACDLabs 11.02 | O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | | CACTVS 3.352 | CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[P](O)(=O)OCC[N+](C)(C)C | | CACTVS 3.352 | CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO[P](O)(=O)OCC[N+](C)(C)C | | OpenEye OEToolkits 1.7.0 | CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)N)O |
|
| Name: | 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium;
sphingosylphosphorylcholine, sphingosine phosphorylcholine |
| ChEMBL: | CHEMBL1236027 |
| ZINC: | ZINC000008218753 |
zhanggroup.org