RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0090268
RefMet name	PE 18:1_20:5
Alternative name	PE(18:1_20:5)
Sum Composition	PE 38:6	View other entries in RefMet with this sum composition
Exact mass	763.515207 (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	C43H74NO8P	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphoethanolamines
Sub Class	PE (Phosphatidylethanolamines)
Distribution of PE 18:1_20:5 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 PE 18:1_20:5
External Links
KEGG ID	C00350
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
PE 38:6	15	PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)	1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
PE 38:6	1	PE 18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)	1-(6Z,9Z,12Z-octadecatrienoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamine
PE 38:6	1	PE 18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)	1-(9Z,12Z,15Z-octadecatrienoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoethanolamine
PE 38:6	1	PE 18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)	1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphoethanolamine
PE 38:6			1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphoethanolamine
PE 38:6			1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phosphoethanolamine
PE 38:6			1-(11Z,14Z-eicosadienoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phosphoethanolamine
PE 38:6			1-(8Z,11Z,14Z-eicosatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
PE 38:6			1-(8Z,11Z,14Z-eicosatrienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
PE 38:6			1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoethanolamine
PE 38:6			1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-octadecenoyl)-glycero-3-phosphoethanolamine
PE 38:6			1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-hexadecanoyl-glycero-3-phosphoethanolamine

Table of KEGG reactions in human pathways involving PE 18:1_20:5

Rxn ID	KEGG Reaction	Enzyme
R02051	Phosphatidylethanolamine + H2O <=> Ethanolamine + Phosphatidate	phosphatidylethanolamine phosphatidohydrolase
R02053	Phosphatidylethanolamine + H2O <=> 1-Acyl-sn-glycero-3-phosphoethanolamine + Fatty acid	phosphatidylethanolamine 2-acylhydrolase
R02054	Phosphatidylethanolamine + H2O <=> 2-Acyl-sn-glycero-3-phosphoethanolamine + Fatty acid	phosphatidylethanolamine 1-acylhydrolase
R02055	Phosphatidylserine <=> Phosphatidylethanolamine + CO2	Phsophatidyl-L-serine carboxy-lyase
R02056	S-Adenosyl-L-methionine + Phosphatidylethanolamine <=> S-Adenosyl-L-homocysteine + Phosphatidyl-N-methylethanolamine	S-adenosyl-L-methionine:phosphatidylethanolamine N-methyltransferase
R02057	CDP-ethanolamine + 1,2-Diacyl-sn-glycerol <=> CMP + Phosphatidylethanolamine	CDPethanolamine:1,2-diacylglycerol ethanolaminephosphotransferase
R04480	Phosphatidylethanolamine + CoA <=> 1-Acyl-sn-glycero-3-phosphoethanolamine + Acyl-CoA	Acyl-CoA:1-acyl-sn-glycero-3-phosphoethanolamine O-acyltransferase
R07376	Phosphatidylethanolamine + L-Serine <=> Phosphatidylserine + Ethanolamine	L-1-phosphatidylethanolamine:L-serine phosphatidyltransferase
R08107	Phosphatidylethanolamine + G00149 <=> 1,2-Diacyl-sn-glycerol + G13044	Phosphatidylethanolamine + G00149 <=> 1,2-Diacyl-sn-glycerol + G13044
R12351	G13128 + Phosphatidylethanolamine <=> G00148 + 1,2-Diacyl-sn-glycerol	G13128 + Phosphatidylethanolamine <=> G00148 + 1,2-Diacyl-sn-glycerol
R12702	Phosphatidylethanolamine + G13044 <=> 1,2-Diacyl-sn-glycerol + G13152	GPI ethanolamine phosphate transferase 2/3 subunit F

Table of KEGG human pathways containing PE 18:1_20:5

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	8
hsa00563	Glycosylphosphatidylinositol (GPI)-anchor biosynthesis	3
hsa01100	Metabolic pathways	1