RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135485
RefMet nameCer 18:1;O2/16:0
Alternative nameCer(d18:1/16:0)
Systematic nameN-(hexadecanoyl)-sphing-4-enine
SynonymsPubChem Synonyms
Sum CompositionCer 34:1;O2 View other entries in RefMet with this sum composition
Exact mass537.512094 (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
FormulaC34H67NO3View other entries in RefMet with this formula
Molecular descriptors
Molfile30565 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,2
9,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
InChIKeyYDNKGFDKKRUKPY-TURZORIXSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassSphingolipids
Main ClassCeramides
Sub ClassCer (Ceramides)
Distribution of Cer 18:1;O2/16:0 in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Cer 18:1;O2/16:0
External Links
Pubchem CID5283564
LIPID MAPSLMSP02010004
ChEBI ID72959
KEGG IDC00422
HMDB IDHMDB0004949
Chemspider ID4446677
MetaCyc IDCPD66-41
Spectral data for Cer 18:1;O2/16:0 standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Cer 18:1;O2/16:0

Rxn IDKEGG ReactionEnzyme
R01350 Glycerol + Fatty acid <=> TriacylglycerolGlycerol acylhydrolase
R02250 Triacylglycerol + H2O <=> 1,2-Diacyl-sn-glycerol + Fatty acidtriacylglycerol acylhydrolase
R02251 Triacylglycerol + CoA <=> 1,2-Diacyl-sn-glycerol + Acyl-CoAacyl-CoA:1,2-diacyl-sn-glycerol O-acyltransferase
R05333 Phospholipid + 1,2-Diacyl-sn-glycerol <=> Lysophospholipid + TriacylglycerolPhospholipid:1,2-diacyl-sn-glycerol O-acyltransferase

Table of KEGG human pathways containing Cer 18:1;O2/16:0

Pathway IDHuman Pathway# of reactions
hsa00561 Glycerolipid metabolism 3
hsa01100 Metabolic pathways 1
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