RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0048634
RefMet name	LPC 0:0/20:3
Sum Composition	LPC 20:3	View other entries in RefMet with this sum composition
Exact mass	545.3481 (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	C28H52NO7P	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphocholines
Sub Class	LPC (Lysophosphatidylcholines)
Distribution of LPC 0:0/20:3 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 LPC 0:0/20:3
External Links
KEGG ID	C04233
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
LPC 20:3	4	LPC 20:3(5Z,8Z,11Z)	(2-{[(2R)-2-hydroxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
LPC 20:3	2	LPC 20:3(5Z,8Z,11Z)/0:0	(2-{[(2R)-2-hydroxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
LPC 20:3			1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphocholine

Table of KEGG reactions in human pathways involving LPC 0:0/20:3

Rxn ID	KEGG Reaction	Enzyme
R01316	Phosphatidylcholine + H2O <=> 2-Acyl-sn-glycero-3-phosphocholine + Fatty acid	phosphatidylcholine 1-acylhydrolase
R02747	2-Acyl-sn-glycero-3-phosphocholine + H2O <=> sn-Glycero-3-phosphocholine + Fatty acid	2-Acyl-sn-glycero-3-phosphocholine acylhydrolase

Table of KEGG human pathways containing LPC 0:0/20:3

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	2