RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0003388
RefMet name	PA O-42:0
Alternative name	PA(O-42:0)
Sum Composition	PA O-42:0	View other entries in RefMet with this sum composition
Exact mass	774.650243 (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	C45H91O7P	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphates
Sub Class	O-PA (Ether Phosphatidic acids)
Distribution of PA O-42:0 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 PA O-42:0
External Links
KEGG ID	C05977
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
PA O-42:0		PA O-14:0/28:0	1-tetradecyl-2-octacosanoyl-sn-glycero-3-phosphate
PA O-42:0		PA O-16:0/26:0	1-hexadecyl-2-hexacosanoyl-sn-glycero-3-phosphate
PA O-42:0		PA O-18:0/24:0	1-octadecyl-2-tetracosanoyl-sn-glycero-3-phosphate
PA O-42:0		PA O-20:0/22:0	1-eicosyl-2-docosanoyl-glycero-3-phosphate
PA O-42:0		PA O-22:0/20:0	1-docosyl-2-eicosanoyl-sn-glycero-3-phosphate

Table of KEGG reactions in human pathways involving PA O-42:0

Rxn ID	KEGG Reaction	Enzyme
R04162	2-Acyl-1-alkyl-sn-glycero-3-phosphate + H2O <=> 1-Alkyl-2-acylglycerol + Orthophosphate	1-Alkyl-2-acyl-sn-glycero-3-phosphate phosphohydrolase

Table of KEGG human pathways containing PA O-42:0

Pathway ID	Human Pathway	# of reactions
hsa00565	Ether lipid metabolism	1