RefMet Compound Details

RefMet IDRM0018451
MW structure88222 (View MW Metabolite Database details)
RefMet nameCerP 17:1;O2/37:0
Alternative nameCerP(d17:1/37:0)
Systematic nameN-(heptatriacontanoyl)-4E-heptadecasphingenine-1-phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCerP 54:1;O2 View other entries in RefMet with this sum composition
Exact mass897.791427 (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
FormulaC54H108NO6PView other entries in RefMet with this formula
InChIInChI=1S/C54H108NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-54(57
)55-52(51-61-62(58,59)60)53(56)49-47-45-43-41-39-16-14-12-10-8-6-4-2/h47,49,52-53,56H,3-46,48,50-51H2,1-2H3,(H,55,57)(H2,58,59,60)
/b49-47+/t52-,53+/m0/s1
InChIKeyJYSNFQZCSFGTJQ-ALQQJGLGSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassCer-1-P (Ceramide-1-phosphates)
Pubchem CID145715304
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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