RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135014
RefMet name	PI 39:4
Alternative name	PI(39:4)
Sum Composition	PI 39:4	View other entries in RefMet with this sum composition
Exact mass	900.572783 (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	C48H85O13P	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphoinositols
Sub Class	PI (Phosphatidylinositols)
Distribution of PI 39:4 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 PI 39:4
External Links
ChEBI ID	190532
KEGG ID	C01194
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
PI 39:4	1	PI 17:0/22:4(7Z,10Z,13Z,16Z)	1-heptadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)
PI 39:4	1	PI 18:4(6Z,9Z,12Z,15Z)/21:0	1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-heneicosanoyl-glycero-3-phospho-(1'-myo-inositol)
PI 39:4	1	PI 22:4(7Z,10Z,13Z,16Z)/17:0	1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-heptadecanoyl-glycero-3-phospho-(1'-myo-inositol)
PI 39:4			1-(9Z,12Z-heptadecadienoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol)
PI 39:4			1-nonadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)
PI 39:4			1-(9Z-nonadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phospho-(1'-myo-inositol)
PI 39:4			1-(8Z,11Z,14Z-eicosatrienoyl)-2-(9Z-nonadecenoyl)-glycero-3-phospho-(1'-myo-inositol)
PI 39:4			1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-nonadecanoyl-glycero-3-phospho-(1'-myo-inositol)
PI 39:4			1-heneicosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)
PI 39:4			1-(13Z,16Z-docosadienoyl)-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phospho-(1'-myo-inositol)

Table of KEGG reactions in human pathways involving PI 39:4

Rxn ID	KEGG Reaction	Enzyme
R01802	CDP-diacylglycerol + myo-Inositol <=> CMP + 1-Phosphatidyl-D-myo-inositol	CDP-diacylglycerol:myo-inositol 3-phosphatidyltransferase
R03332	1-Phosphatidyl-D-myo-inositol + H2O <=> Inositol 1-phosphate + 1,2-Diacyl-sn-glycerol	1-Phosphatidyl-D-myo-inositol inositolphosphohydrolase
R03361	ATP + 1-Phosphatidyl-D-myo-inositol <=> ADP + 1-Phosphatidyl-1D-myo-inositol 4-phosphate	ATP:1-Phosphatidyl-1D-myo-inositol 4-phosphotransferase
R03362	ATP + 1-Phosphatidyl-D-myo-inositol <=> ADP + 1-Phosphatidyl-1D-myo-inositol 3-phosphate	ATP:1-phosphatidyl-1D-myo-inositol 3-phosphotransferase
R03363	1-Phosphatidyl-1D-myo-inositol 3-phosphate + H2O <=> 1-Phosphatidyl-D-myo-inositol + Orthophosphate	1-Phosphatidyl-1D-myo-inositol 3-phosphate 3-phosphohydrolase
R05916	UDP-N-acetyl-D-glucosamine + 1-Phosphatidyl-D-myo-inositol <=> UDP + G00143	UDP-N-acetyl-D-glucosamine + 1-Phosphatidyl-D-myo-inositol <=> UDP + G00143
R09034	Acyl-CoA + 1-Acylglycerophosphoinositol <=> CoA + 1-Phosphatidyl-D-myo-inositol	acyl-CoA:1-acyl-sn-glycero-3-phosphoinositol O-acyltransferase
R10951	ATP + 1-Phosphatidyl-D-myo-inositol <=> ADP + 1-Phosphatidyl-1D-myo-inositol 5-phosphate	ATP:1-phosphatidyl-1D-myo-inositol 5-phosphotransferase
R11680	1-Phosphatidyl-1D-myo-inositol 4-phosphate + H2O <=> 1-Phosphatidyl-D-myo-inositol + Orthophosphate	1-Phosphatidyl-1D-myo-inositol 4-phosphate + H2O <=> 1-Phosphatidyl-D-myo-inositol + Orthophosphate

Table of KEGG human pathways containing PI 39:4

Pathway ID	Human Pathway	# of reactions
hsa04070	Phosphatidylinositol signaling system	7
hsa00562	Inositol phosphate metabolism	5
hsa00564	Glycerophospholipid metabolism	2
hsa00563	Glycosylphosphatidylinositol (GPI)-anchor biosynthesis	1