RefMet Compound Details

MW structure30656 (View MW Metabolite Database details)
RefMet nameCer 18:0;O2/22:0
Alternative nameCer(d18:0/22:0)
Systematic nameN-(docosanoyl)-sphinganine
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCer 40:0;O2 View other entries in RefMet with this sum composition
Exact mass623.621644 (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
FormulaC40H81NO3View other entries in RefMet with this formula
InChIKeySXPRAKSDHOEHIG-ZESVVUHVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassDHCer (Dihydroceramides)
Pubchem CID5283575
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Cer 18:0;O2/22:0

Rxn IDKEGG ReactionEnzyme
R06517 Acyl-CoA + Sphinganine <=> CoA + Dihydroceramideacyl-CoA:sphingosine N-acyltransferase
R06526 Dihydroceramide + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> Phytoceramide + 2 Ferricytochrome b5 + H2Odihydroceramide,ferrocytochrome b5:oxygen oxidoreductase (C4-hydroxylating)
R06518 Dihydroceramide + H2O <=> Fatty acid + SphinganineN-acylsphingosine amidohydrolase
R06519 Dihydroceramide + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> N-Acylsphingosine + 2 Ferricytochrome b5 + 2 H2Odihydroceramide,ferrocytochrome b5:oxygen oxidoreductase (4,5-dehydrogenating)

Table of KEGG human pathways containing Cer 18:0;O2/22:0

Pathway IDHuman Pathway# of reactions
hsa00600 Sphingolipid metabolism 4