RefMet Compound Details

RefMet IDRM0033457
MW structure88268 (View MW Metabolite Database details)
RefMet nameCerP 18:1;O2/32:0
Alternative nameCerP(d18:1/32:0)
Systematic nameN-(dotriacontanoyl)-4E-sphingenine-1-phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCerP 50:1;O2 View other entries in RefMet with this sum composition
Exact mass841.728827 (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
FormulaC50H100NO6PView other entries in RefMet with this formula
InChIInChI=1S/C50H100NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-50(53)51-48(47-57-58
(54,55)56)49(52)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h43,45,48-49,52H,3-42,44,46-47H2,1-2H3,(H,51,53)(H2,54,55,56)/b45-43+/t48
-,49+/m0/s1
InChIKeySPQWADNILKPXAT-SDOSYGGKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassCer-1-P (Ceramide-1-phosphates)
Pubchem CID145715341
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving CerP 18:1;O2/32:0

Rxn IDKEGG ReactionEnzyme
R01495 ATP + N-Acylsphingosine <=> ADP + Ceramide 1-phosphateATP:ceramide 1-phosphotransferase
R06522 Ceramide 1-phosphate + H2O <=> N-Acylsphingosine + Orthophosphate3-sn-phosphatidate phosphohydrolase

Table of KEGG human pathways containing CerP 18:1;O2/32:0

Pathway IDHuman Pathway# of reactions
hsa00600 Sphingolipid metabolism 2
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