RefMet Compound Details

RefMet IDRM0121323
MW structure88403 (View MW Metabolite Database details)
RefMet nameCerP 21:0;O2/17:0
Alternative nameCerP(d21:0/17:0)
Systematic nameN-(heptadecanoyl)-heneicosasphinganine-1-phosphate
SMILESCCCCCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCerP 38:0;O2 View other entries in RefMet with this sum composition
Exact mass675.556677 (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
FormulaC38H78NO6PView other entries in RefMet with this formula
InChIInChI=1S/C38H78NO6P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-37(40)36(35-45-46(42,43)44)39-38(41)34-32-30-28-26-24-22-18-
16-14-12-10-8-6-4-2/h36-37,40H,3-35H2,1-2H3,(H,39,41)(H2,42,43,44)/t36-,37+/m0/s1
InChIKeyKAOMULVKXANFEJ-PQQNNWGCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassCer-1-P (Ceramide-1-phosphates)
Pubchem CID145715457
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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