RefMet Compound Details

RefMet IDRM0135489
MW structure30572 (View MW Metabolite Database details)
RefMet nameCer 18:1;O2/24:0
Alternative nameCer(d18:1/24:0)
Systematic nameN-(tetracosanoyl)-sphing-4-enine
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCer 42:1;O2 View other entries in RefMet with this sum composition
Exact mass649.637294 (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
FormulaC42H83NO3View other entries in RefMet with this formula
InChIInChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-1
6-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1
InChIKeyZJVVOYPTFQEGPH-AUTSUKAISA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassCer (Ceramides)
Pubchem CID5283571
ChEBI ID72965
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;O2/24:0

Rxn IDKEGG ReactionEnzyme
R01494 N-Acylsphingosine + H2O <=> Fatty acid + SphingosineN-Acylsphingosine amidohydrolase
R01495 ATP + N-Acylsphingosine <=> ADP + Ceramide 1-phosphateATP:ceramide 1-phosphotransferase
R01496 Acyl-CoA + Sphingosine <=> CoA + N-Acylsphingosineacyl-CoA:sphingosine N-acyltransferase
R01497 UDP-glucose + N-Acylsphingosine <=> UDP + GlucosylceramideUDP-glucose:N-acylsphingosine D-glucosyltransferase
R01498 Glucosylceramide + H2O <=> D-Glucose + N-AcylsphingosineD-Glucosyl-N-acylsphingosine glucohydrolase
R01500 UDP-alpha-D-galactose + N-Acylsphingosine <=> UDP + GalactosylceramideUDP-alpha-D-galactose:N-acylsphingosine D-galactosyltransferase
R01891 CDP-choline + N-Acylsphingosine <=> CMP + SphingomyelinCDP-choline:N-acylsphingosine cholinephosphotransferase
R02541 Sphingomyelin + H2O <=> N-Acylsphingosine + Choline phosphateSphingomyelin cholinephosphohydrolase
R03617 Galactosylceramide + H2O <=> D-Galactose + N-AcylsphingosineD-galactosyl-N-acylsphingosine galactohydrolase
R06519 Dihydroceramide + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> N-Acylsphingosine + 2 Ferricytochrome b5 + 2 H2Odihydroceramide,ferrocytochrome b5:oxygen oxidoreductase (4,5-dehydrogenating)
R06522 Ceramide 1-phosphate + H2O <=> N-Acylsphingosine + Orthophosphate3-sn-phosphatidate phosphohydrolase
R08969 N-Acylsphingosine + Phosphatidylcholine <=> Sphingomyelin + 1,2-Diacyl-sn-glycerolceramide:phosphatidylcholine cholinephosphotransferase

Table of KEGG human pathways containing Cer 18:1;O2/24:0

Pathway IDHuman Pathway# of reactions
hsa00600 Sphingolipid metabolism 11
hsa01100 Metabolic pathways 1
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