RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0053625
RefMet name	PC P-20:0/20:4 or PC O-20:1/20:4
Alternative name	PC(P-20:0/20:4)/PC(O-20:1/20:4)
Sum Composition	PC O-40:5	View other entries in RefMet with this sum composition
Exact mass	821.629842 (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	C48H88NO7P	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphocholines
Sub Class	O-PC (Ether Phosphatidylcholines)
Distribution of PC P-20:0/20:4 or PC O-20:1/20:4 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 PC P-20:0/20:4 or PC O-20:1/20:4
External Links
KEGG ID	C00958
Structural annotation level
Annotation level	3   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Abbrev	# of Studies	Refmet name(exact structures)	Systematic name
PC O-40:5	4	PC O-18:0/22:5(4Z,7Z,10Z,13Z,16Z)	1-octadecyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
PC O-40:5			1-octadecyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
PC O-40:5			1-eicosyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphocholine
PC O-40:5			1-(11Z-eicosenyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine