RefMet Compound Details

MW structure30654 (View MW Metabolite Database details)
RefMet nameCer 18:0;O2/18:0
Alternative nameCer(d18:0/18:0)
Systematic nameN-(octadecanoyl)-sphinganine
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCer 36:0;O2 View other entries in RefMet with this sum composition
Exact mass567.559044 (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
FormulaC36H73NO3View other entries in RefMet with this formula
InChIInChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2
/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
InChIKeyKZTJQXAANJHSCE-OIDHKYIRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassCeramides
Sub ClassDHCer (Dihydroceramides)
Pubchem CID5283573
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;O2/18:0

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;O2/18:0

Pathway IDHuman Pathway# of reactions
hsa00600 Sphingolipid metabolism 4
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