RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0172683
RefMet namePI 22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)
Systematic name1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphoinositol
SynonymsPubChem Synonyms
Sum CompositionPI 22:24 View other entries in RefMet with this sum composition
Exact mass932.541483 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC51H81O13PView other entries in RefMet with this formula
Molecular descriptors
Molfile19595 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C51H81O13P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(52)61-41-43(42-62-65(59,60)64-51-49(57)47(55)46(
54)48(56)50(51)58)63-45(53)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,22,24,26-29,32,34,43,46-51,54-58H
,3-5,7,9-10,15-16,21,23,25,30-31,33,35-42H2,1-2H3,(H,59,60)/b8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-,46-
,47-,48+,49-,50-,51-/m1/s1
InChIKeyJJWHFBXUJKFTHB-QLPWZQJRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=CC/C=CC/C=CC/C=CCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCC/C=CC/C=CC/C=CC/C=CC/C=CCC
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassGlycerophospholipids
Main ClassGlycerophosphoinositols
Sub ClassPI (Phosphatidylinositols)
Distribution of PI 22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z) in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting PI 22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)
External Links
Pubchem CID52928233
LIPID MAPSLMGP06010780
KEGG IDC01194
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving PI 22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)

Rxn IDKEGG ReactionEnzyme
R01802 CDP-diacylglycerol + myo-Inositol <=> CMP + 1-Phosphatidyl-D-myo-inositolCDP-diacylglycerol:myo-inositol 3-phosphatidyltransferase
R03332 1-Phosphatidyl-D-myo-inositol + H2O <=> Inositol 1-phosphate + 1,2-Diacyl-sn-glycerol1-Phosphatidyl-D-myo-inositol inositolphosphohydrolase
R03361 ATP + 1-Phosphatidyl-D-myo-inositol <=> ADP + 1-Phosphatidyl-1D-myo-inositol 4-phosphateATP:1-Phosphatidyl-1D-myo-inositol 4-phosphotransferase
R03362 ATP + 1-Phosphatidyl-D-myo-inositol <=> ADP + 1-Phosphatidyl-1D-myo-inositol 3-phosphateATP:1-phosphatidyl-1D-myo-inositol 3-phosphotransferase
R03363 1-Phosphatidyl-1D-myo-inositol 3-phosphate + H2O <=> 1-Phosphatidyl-D-myo-inositol + Orthophosphate1-Phosphatidyl-1D-myo-inositol 3-phosphate 3-phosphohydrolase
R05916 UDP-N-acetyl-D-glucosamine + 1-Phosphatidyl-D-myo-inositol <=> UDP + G00143UDP-N-acetyl-D-glucosamine + 1-Phosphatidyl-D-myo-inositol <=> UDP + G00143
R09034 Acyl-CoA + 1-Acylglycerophosphoinositol <=> CoA + 1-Phosphatidyl-D-myo-inositolacyl-CoA:1-acyl-sn-glycero-3-phosphoinositol O-acyltransferase
R10951 ATP + 1-Phosphatidyl-D-myo-inositol <=> ADP + 1-Phosphatidyl-1D-myo-inositol 5-phosphateATP:1-phosphatidyl-1D-myo-inositol 5-phosphotransferase
R11680 1-Phosphatidyl-1D-myo-inositol 4-phosphate + H2O <=> 1-Phosphatidyl-D-myo-inositol + Orthophosphate1-Phosphatidyl-1D-myo-inositol 4-phosphate + H2O <=> 1-Phosphatidyl-D-myo-inositol + Orthophosphate

Table of KEGG human pathways containing PI 22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)

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