RefMet Compound Details

RefMet IDRM0160093
MW structure88399 (View MW Metabolite Database details)
RefMet nameCerP 21:0;O2/13:0
Alternative nameCerP(d21:0/13:0)
Systematic nameN-(tridecanoyl)-heneicosasphinganine-1-phosphate
SMILESCCCCCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCerP 34:0;O2 View other entries in RefMet with this sum composition
Exact mass619.494077 (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
FormulaC34H70NO6PView other entries in RefMet with this formula
InChIInChI=1S/C34H70NO6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-14-12-10-
8-6-4-2/h32-33,36H,3-31H2,1-2H3,(H,35,37)(H2,38,39,40)/t32-,33+/m0/s1
InChIKeyHQTKYVMQJIPFMS-JHOUSYSJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassCer-1-P (Ceramide-1-phosphates)
Pubchem CID145715453
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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