RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0001443
RefMet name	PE 40:0
Alternative name	PE(40:0)
Sum Composition	PE 40:0	View other entries in RefMet with this sum composition
Exact mass	803.640407 (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	C45H90NO8P	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphoethanolamines
Sub Class	PE (Phosphatidylethanolamines)
Distribution of PE 40:0 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 40:0
External Links
ChEBI ID	71740
KEGG ID	C00350
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
PE 40:0	8	PE 20:0/20:0	1,2-dieicosanoyl-sn-glycero-3-phosphoethanolamine
PE 40:0	6	PE 18:0/22:0	1-octadecanoyl-2-docosanoyl-sn-glycero-3-phosphoethanolamine
PE 40:0			1-octadecanoyl-2-(14-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
PE 40:0		PE 19:0/21:0	1-nonadecanoyl-2-heneicosanoyl-glycero-3-phosphoethanolamine
PE 40:0		PE 21:0/19:0	1-heneicosanoyl-2-nonadecanoyl-glycero-3-phosphoethanolamine
PE 40:0			1-docosanoyl-2-octadecanoyl-glycero-3-phosphoethanolamine
PE 40:0		PE 36:0/4:0	1-hexatriacontanoyl-2-butyryl-sn-glycero-3-phosphoethanolamine
PE 40:0		PE 38:0/2:0	1-octatriacontanoyl-2-acetyl-sn-glycero-3-phosphoethanolamine
PE 40:0			1-O-(1Z-octadecenyl)-2-(14-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine

Table of KEGG reactions in human pathways involving PE 40:0

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 40:0

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