RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0061592
RefMet name	Cer 50:0;O3
Alternative name	Cer(t50:0)
Sum Composition	Cer 50:0;O3	View other entries in RefMet with this sum composition
Exact mass	779.773059 (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	C50H101NO4	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Ceramides
Sub Class	PhytoCer (Phytoceramides)
Distribution of Cer 50:0;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 Cer 50:0;O3
External Links
KEGG ID	C12126
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
Cer 22:0;O3/28:0	1	Cer 22:0;O3/28:0	N-(octacosanoyl)-4R-hydroxydocosasphinganine
Cer 18:0;O2/32:0(32OH)			N-(32-hydroxy-dotriacontanoyl)-sphinganine
Cer 14:0;O3/36:0		Cer 14:0;O3/36:0	N-(hexatriacontanoyl)-4R-hydroxytetradecasphinganine
Cer 15:0;O3/35:0		Cer 15:0;O3/35:0	N-(pentatriacontanoyl)-4R-hydroxypentadecasphinganine
Cer 16:0;O3/34:0		Cer 16:0;O3/34:0	N-(tetratriacontanoyl)-4R-hydroxyhexadecasphinganine
Cer 17:0;O3/33:0		Cer 17:0;O3/33:0	N-(tritriacontanoyl)-4R-hydroxyheptadecasphinganine
Cer 18:0;O3/32:0		Cer 18:0;O3/32:0	N-(dotriacontanoyl)-4R-hydroxysphinganine
Cer 19:0;O3/31:0		Cer 19:0;O3/31:0	N-(hentriacontanoyl)-4R-hydroxynonadecasphinganine
Cer 20:0;O3/30:0		Cer 20:0;O3/30:0	N-(triacontanoyl)-4R-hydroxyeicosasphinganine
Cer 21:0;O3/29:0		Cer 21:0;O3/29:0	N-(nonacosanoyl)-4R-hydroxyheneicosasphinganine

Table of KEGG reactions in human pathways involving Cer 50:0;O3

Rxn ID	KEGG Reaction	Enzyme
R06517	Acyl-CoA + Sphinganine <=> CoA + Dihydroceramide	acyl-CoA:sphingosine N-acyltransferase
R06518	Dihydroceramide + H2O <=> Fatty acid + Sphinganine	N-acylsphingosine amidohydrolase
R06519	Dihydroceramide + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> N-Acylsphingosine + 2 Ferricytochrome b5 + 2 H2O	dihydroceramide,ferrocytochrome b5:oxygen oxidoreductase (4,5-dehydrogenating)
R06526	Dihydroceramide + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> Phytoceramide + 2 Ferricytochrome b5 + H2O	dihydroceramide,ferrocytochrome b5:oxygen oxidoreductase (C4-hydroxylating)

Table of KEGG human pathways containing Cer 50:0;O3

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	4