RefMet Compound Details

MW structure30730 (View MW Metabolite Database details)
RefMet nameSM 18:1;O2/20:0
Alternative nameSM(d18:1/20:0)
Systematic nameN-(eicosanoyl)-sphing-4-enine-1-phosphocholine
SMILESC[N+](C)(C)CCOP([O-])(=O)OC[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](O)/C=C/CCCCCCCCCCCCC
Sum CompositionSM 38:1;O2 View other entries in RefMet with this sum composition
Exact mass758.630176 (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
FormulaC43H87N2O6PView other entries in RefMet with this formula
InChIInChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42+/m0/s1
InChIKeyAADLTHQNYQJHQV-SVLGDMRNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassSphingomyelins
Sub ClassSM (Sphingomyelins)
Pubchem CID44260124
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving SM 18:1;O2/20:0

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;O2/20:0

Pathway IDHuman Pathway# of reactions
hsa00600 Sphingolipid metabolism 2
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