RefMet Compound Details

RefMet nameSM 18:1;O2/22:1
Alternative nameSM(d18:1/22:1)
Systematic nameN-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine
SMILESC[N+](C)(C)CCOP([O-])(=O)OC[C@@H](NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](O)/C=C/CCCCCCCCCCCCC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionSM 40:2;O2 View other entries in RefMet with this sum composition
Exact mass784.645826 (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
FormulaC45H89N2O6PView other entries in RefMet with this formula
Super ClassSphingolipids
Main ClassPhosphosphingolipids
Sub ClassSM (Sphingomyelins)
Annotation level3   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving SM 18:1;O2/22:1

Rxn IDKEGG ReactionEnzyme
R08969 N-Acylsphingosine + Phosphatidylcholine <=> Sphingomyelin + 1,2-Diacyl-sn-glycerolceramide:phosphatidylcholine cholinephosphotransferase
R01891 CDP-choline + N-Acylsphingosine <=> CMP + SphingomyelinCDP-choline:N-acylsphingosine cholinephosphotransferase
R02541 Sphingomyelin + H2O <=> N-Acylsphingosine + Choline phosphateSphingomyelin cholinephosphohydrolase

Table of KEGG human pathways containing SM 18:1;O2/22:1

Pathway IDHuman Pathway# of reactions
hsa00600 Sphingolipid metabolism 2
hsa01100 Metabolic pathways 1