RefMet Compound Details

MW structure30494 (View MW Metabolite Database details)
RefMet nameSphinganine-1-phosphocholine
Systematic nameSphinganine-1-phosphocholine
SMILESCCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass466.353561 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC23H51N2O5PView other entries in RefMet with this formula
InChIInChI=1S/C23H51N2O5P/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/h22-23,26H,5-21,24H2,1-4
H3/t22-,23+/m0/s1
InChIKeyGSEOJHIBPQRSNH-XZOQPEGZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassSphingoid bases
Sub ClassLyso-SM
Pubchem CID44260122
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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