Structure database (LMSD)

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LM IDLMSP01060001
Common NameSphingosine-1-phosphocholine
Systematic NameSphing-4-enine-1-phosphocholine
SynonymsSM(d18:1/0:0)
Exact Mass
464.3379 (neutral)    Calculate m/z:
FormulaC23H49N2O5P
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassLysosphingomyelins and lysoglycosphingolipids [SP0106]
PubChem CID9847290
KEGG IDC03640
CAYMAN ID10007947
InChIKeyJLVSPVFPBBFMBE-HXSWCURESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-3
1(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
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings0Aromatic Rings0Rotatable Bonds21
 van der Waals
Molecular Volume
489.60Topological Polar
Surface Area
104.84Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP5.57Molar
Refractivity
129.10