RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0045910
RefMet name	GalCer 45:0;O2;O
Alternative name	GalCer(d45:0(OH))
Sum Composition	GalCer 45:0;O3	View other entries in RefMet with this sum composition
Exact mass	871.747634 (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	C51H101NO9	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Glycosphingolipids
Sub Class	HexCer (Hexosyl ceramides)
Distribution of GalCer 45:0;O2;O 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 GalCer 45:0;O2;O
External Links
KEGG ID	C02686
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
GalCer 14:0;O3/31:0		GalCer 14:0;O3/31:0	N-(hentriacontanoyl)-1-beta-galactosyl-4R-hydroxytetradecasphinganine
GalCer 15:0;O3/30:0		GalCer 15:0;O3/30:0	N-(triacontanoyl)-1-beta-galactosyl-4R-hydroxypentadecasphinganine
GalCer 16:0;O3/29:0		GalCer 16:0;O3/29:0	N-(nonacosanoyl)-1-beta-galactosyl-4R-hydroxyhexadecasphinganine
GalCer 17:0;O3/28:0		GalCer 17:0;O3/28:0	N-(octacosanoyl)-1-beta-galactosyl-4R-hydroxyheptadecasphinganine
GalCer 18:0;O3/27:0		GalCer 18:0;O3/27:0	N-(heptacosanoyl)-1-beta-galactosyl-4R-hydroxysphinganine
GalCer 19:0;O3/26:0		GalCer 19:0;O3/26:0	N-(hexacosanoyl)-1-beta-galactosyl-4R-hydroxynonadecasphinganine
GalCer 20:0;O3/25:0		GalCer 20:0;O3/25:0	N-(pentacosanoyl)-1-beta-galactosyl-4R-hydroxyeicosasphinganine
GalCer 21:0;O3/24:0		GalCer 21:0;O3/24:0	N-(tetracosanoyl)-1-beta-galactosyl-4R-hydroxyheneicosasphinganine
GalCer 22:0;O3/23:0		GalCer 22:0;O3/23:0	N-(tricosanoyl)-1-beta-galactosyl-4R-hydroxydocosasphinganine

Table of KEGG reactions in human pathways involving GalCer 45:0;O2;O

Rxn ID	KEGG Reaction	Enzyme
R01500	UDP-alpha-D-galactose + N-Acylsphingosine <=> UDP + Galactosylceramide	UDP-alpha-D-galactose:N-acylsphingosine D-galactosyltransferase
R03617	Galactosylceramide + H2O <=> D-Galactose + N-Acylsphingosine	D-galactosyl-N-acylsphingosine galactohydrolase
R04017	3'-Phosphoadenylyl sulfate + Galactosylceramide <=> Adenosine 3',5'-bisphosphate + Sulfatide	3'-Phosphoadenylylsulfate:galactosylceramide 3'-sulfotransferase
R04018	Galactosylceramide + N-Acetylneuraminate <=> GM4 + H2O	Acylneuraminyl hydrolase
R04019	Digalactosylceramide + H2O <=> Galactosylceramide + D-Galactose	Digalactosylceramide galactohydrolase
R04856	Sulfatide + H2O <=> Galactosylceramide + Sulfate	Sulfatide sulfohydrolase

Table of KEGG human pathways containing GalCer 45:0;O2;O

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	6