RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0099862
RefMet name	PS 39:3
Alternative name	PS(39:3)
Sum Composition	PS 39:3	View other entries in RefMet with this sum composition
Exact mass	827.567637 (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	C45H82NO10P	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphoserines
Sub Class	PS (Phosphatidylserines)
Distribution of PS 39:3 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 PS 39:3
External Links
KEGG ID	C02737
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
PS 39:3	4	PS 17:1(9Z)/22:2(13Z,16Z)	1-(9Z-heptadecenoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine
PS 39:3	1	PS 22:2(13Z,16Z)/17:1(9Z)	1-(13Z,16Z-docosadienoyl)-2-(9Z-heptadecenoyl)-glycero-3-phosphoserine
PS 39:3			1-(9Z,12Z-heptadecadienoyl)-2-(11Z-docosenoyl)-glycero-3-phosphoserine
PS 39:3			1-(6Z,9Z,12Z-octadecatrienoyl)-2-heneicosanoyl-glycero-3-phosphoserine
PS 39:3			1-(9Z,12Z,15Z-octadecatrienoyl)-2-heneicosanoyl-glycero-3-phosphoserine
PS 39:3			1-nonadecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoserine
PS 39:3			1-(9Z-nonadecenoyl)-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphoserine
PS 39:3			1-(11Z,14Z-eicosadienoyl)-2-(9Z-nonadecenoyl)-glycero-3-phosphoserine
PS 39:3			1-(8Z,11Z,14Z-eicosatrienoyl)-2-nonadecanoyl-glycero-3-phosphoserine
PS 39:3			1-heneicosanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoserine
PS 39:3			1-heneicosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphoserine
PS 39:3			1-(11Z-docosenoyl)-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphoserine

Table of KEGG reactions in human pathways involving PS 39:3

Rxn ID	KEGG Reaction	Enzyme
R02055	Phosphatidylserine <=> Phosphatidylethanolamine + CO2	Phsophatidyl-L-serine carboxy-lyase
R04034	Phosphatidylserine + H2O <=> 2-Acyl-sn-glycero-3-phosphoserine + Fatty acid	3-sn-phosphatidyl-L-serine sn-1 acylhydrolase
R07376	Phosphatidylethanolamine + L-Serine <=> Phosphatidylserine + Ethanolamine	L-1-phosphatidylethanolamine:L-serine phosphatidyltransferase
R07377	Phosphatidylcholine + L-Serine <=> Phosphatidylserine + Choline	Phosphatidylcholine + L-Serine <=> Phosphatidylserine + Choline
R09035	Acyl-CoA + 1-Acyl-sn-glycero-3-phosphoserine <=> CoA + Phosphatidylserine	acyl-CoA:1-acyl-sn-glycero-3-phosphoserine O-acyltransferase

Table of KEGG human pathways containing PS 39:3

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	5