RefMet Compound Details

MW structure31118 (View MW Metabolite Database details)
RefMet nameGlcCer 14:1;O2(4E)/20:0;O
Alternative nameGlcCer(d14:1(4E)/20:0(OH))
Systematic nameN-(2-hydroxy-eicosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine
SMILESCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)[C@H](O)/C=C/CCCCCCCCC
Sum CompositionGlcCer 34:1;O3 View other entries in RefMet with this sum composition
Exact mass715.559834 (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
FormulaC40H77NO9View other entries in RefMet with this formula
InChIInChI=1S/C40H77NO9/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-34(44)39(48)41-32(33(43)28-26-24-22-20-12-10-8-6-4-2)31-49-40
-38(47)37(46)36(45)35(30-42)50-40/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48)/b28-26+/t32-,33+,34?,35+,36+,37?,38?,40+/
m0/s1
InChIKeyYYILQTLJZBSOCA-IMJQGFQJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassGlycosphingolipids
Sub ClassHexCer (Hexosyl ceramides)
Pubchem CID70699246
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving GlcCer 14:1;O2(4E)/20:0;O

Rxn IDKEGG ReactionEnzyme
R03354 Glucosylceramide + UDP-alpha-D-galactose <=> Lactosylceramide + UDPUDP-alpha-D-galactose:beta-D-glucosyl-(1<->1)-ceramide 4-beta-D-galactosyltransferase
R03355 Lactosylceramide + H2O <=> Glucosylceramide + D-Galactosebeta-D-Galactosyl-1,4-beta-D-glucosylceramide galactohydrolase
R01497 UDP-glucose + N-Acylsphingosine <=> UDP + GlucosylceramideUDP-glucose:N-acylsphingosine D-glucosyltransferase
R01498 Glucosylceramide + H2O <=> D-Glucose + N-AcylsphingosineD-Glucosyl-N-acylsphingosine glucohydrolase

Table of KEGG human pathways containing GlcCer 14:1;O2(4E)/20:0;O

Pathway IDHuman Pathway# of reactions
hsa00600 Sphingolipid metabolism 4
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