RefMet Compound Details

MW structure30563 (View MW Metabolite Database details)
RefMet nameCer 18:1;O2/12:0
Alternative nameCer(d18:1/12:0)
Systematic nameN-(dodecanoyl)-sphing-4-enine
SMILESCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC
Sum CompositionCer 30:1;O2 View other entries in RefMet with this sum composition
Exact mass481.449494 (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
FormulaC30H59NO3View other entries in RefMet with this formula
InChIInChI=1S/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(33)28(27-32)31-30(34)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1
InChIKeyHXFPPRPLRSPNIB-VARSQMIESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassCer (Ceramides)
Pubchem CID5283562
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;O2/12:0

Rxn IDKEGG ReactionEnzyme
R08969 N-Acylsphingosine + Phosphatidylcholine <=> Sphingomyelin + 1,2-Diacyl-sn-glycerolceramide:phosphatidylcholine cholinephosphotransferase
R01500 UDP-alpha-D-galactose + N-Acylsphingosine <=> UDP + GalactosylceramideUDP-alpha-D-galactose:N-acylsphingosine D-galactosyltransferase
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)
R01891 CDP-choline + N-Acylsphingosine <=> CMP + SphingomyelinCDP-choline:N-acylsphingosine cholinephosphotransferase
R01497 UDP-glucose + N-Acylsphingosine <=> UDP + GlucosylceramideUDP-glucose:N-acylsphingosine D-glucosyltransferase
R01494 N-Acylsphingosine + H2O <=> Fatty acid + SphingosineN-Acylsphingosine amidohydrolase
R01496 Acyl-CoA + Sphingosine <=> CoA + N-Acylsphingosineacyl-CoA:sphingosine N-acyltransferase
R01498 Glucosylceramide + H2O <=> D-Glucose + N-AcylsphingosineD-Glucosyl-N-acylsphingosine glucohydrolase
R02541 Sphingomyelin + H2O <=> N-Acylsphingosine + Choline phosphateSphingomyelin cholinephosphohydrolase

Table of KEGG human pathways containing Cer 18:1;O2/12:0

Pathway IDHuman Pathway# of reactions
hsa00600 Sphingolipid metabolism 9
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