RefMet Compound Details

RefMet IDRM0031764
MW structure88044 (View MW Metabolite Database details)
RefMet nameCerP 14:1;O2/39:0
Alternative nameCerP(d14:1/39:0)
Systematic nameN-(nonatriacontanoyl)-4E-tetradecasphingenine-1-phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCerP 53:1;O2 View other entries in RefMet with this sum composition
Exact mass883.775777 (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
FormulaC53H106NO6PView other entries in RefMet with this formula
InChIInChI=1S/C53H106NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49
-53(56)54-51(50-60-61(57,58)59)52(55)48-46-44-42-40-12-10-8-6-4-2/h46,48,51-52,55H,3-45,47,49-50H2,1-2H3,(H,54,56)(H2,57,58,59)/b4
8-46+/t51-,52+/m0/s1
InChIKeyJCEFQUGCKBVONL-YATVUGEWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassCer-1-P (Ceramide-1-phosphates)
Pubchem CID145715180
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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