RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0173002
RefMet namePI 14:1(9Z)/20:4(5Z,8Z,11Z,14Z)
Systematic name1-(9Z-tetradecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol
SynonymsPubChem Synonyms
Sum CompositionPI 14:21 View other entries in RefMet with this sum composition
Exact mass828.478883 (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
FormulaC43H73O13PView other entries in RefMet with this formula
Molecular descriptors
Molfile18914 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C43H73O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-14-12-10-8-6-4-
2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h10-13,16-17,19-20,24,26,35,38-43,46-50H,3-9,14-15,18,21-23,25,27-34H2,1-2
H3,(H,51,52)/b12-10-,13-11-,17-16-,20-19-,26-24-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
InChIKeyNJJLSBIALGHEHE-OZXVECSZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCC)COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassGlycerophospholipids
Main ClassGlycerophosphoinositols
Sub ClassPI (Phosphatidylinositols)
Distribution of PI 14:1(9Z)/20:4(5Z,8Z,11Z,14Z) 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 14:1(9Z)/20:4(5Z,8Z,11Z,14Z)
External Links
Pubchem CID52927552
LIPID MAPSLMGP06010099
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 14:1(9Z)/20:4(5Z,8Z,11Z,14Z)

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 14:1(9Z)/20:4(5Z,8Z,11Z,14Z)

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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