RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0027610
RefMet name	HexCer 36:2;O3
Alternative name	HexCer(t36:2)
Sum Composition	HexCer 36:2;O3	View other entries in RefMet with this sum composition
Exact mass	741.575484 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C42H79NO9	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Glycosphingolipids
Sub Class	HexCer (Hexosyl ceramides)
Distribution of HexCer 36:2;O3 in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting HexCer 36:2;O3
External Links
KEGG ID	C01190
Structural annotation level
Annotation level	4   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Abbrev	# of Studies	Refmet name(exact structures)	Systematic name
Dracontioside A			N-(2R-hydroxyoctadecanoyl)-1-beta-glucosyl-4E,8Z-octadecasphingadienine
GlcCer 14:1;O2/22:1;O		GlcCer 14:1;O2(4E)/22:1;O	N-(2-hydroxy-13Z-docosenoyl)-1-beta-glucosyl-tetradecasphing-4-enine
GlcCer 14:2;O2/22:0;O		GlcCer 14:2;O2(4E,6E)/22:0;O	N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-4E,6E-tetradecasphingadienine
GlcCer 16:2;O2/20:0;O		GlcCer 16:2;O2(4E,6E)/20:0;O	N-(2-hydroxy-eicosanoyl)-1-beta-glucosyl-4E,6E-hexadecasphingadienine
GlcCer 18:2;O2/18:0;O			N-(2R-hydroxyoctadecanoyl)-1-beta-glucosyl-4E,8E-octadecasphingadienine
GlcCer 18:2;O2/18:0;O			N-(2R-hydroxyoctadecanoyl)-1-beta-glucosyl-4E,8Z-octadecasphingadienine

Table of KEGG reactions in human pathways involving HexCer 36:2;O3

Rxn ID	KEGG Reaction	Enzyme
R01497	UDP-glucose + N-Acylsphingosine <=> UDP + Glucosylceramide	UDP-glucose:N-acylsphingosine D-glucosyltransferase
R01498	Glucosylceramide + H2O <=> D-Glucose + N-Acylsphingosine	D-Glucosyl-N-acylsphingosine glucohydrolase
R03354	Glucosylceramide + UDP-alpha-D-galactose <=> Lactosylceramide + UDP	UDP-alpha-D-galactose:beta-D-glucosyl-(1<->1)-ceramide 4-beta-D-galactosyltransferase
R03355	Lactosylceramide + H2O <=> Glucosylceramide + D-Galactose	beta-D-Galactosyl-1,4-beta-D-glucosylceramide galactohydrolase

Table of KEGG human pathways containing HexCer 36:2;O3

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	4