RefMet Compound Details

MW structure19762 (View MW Metabolite Database details)
RefMet namePI 15:0/15:0
Alternative namePI(15:0/15:0)
SMILESCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionPI 30:0 View other entries in RefMet with this sum composition
Exact mass782.494533 (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
FormulaC39H75O13PView other entries in RefMet with this formula
InChIInChI=1S/C39H75O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(40)49-29-31(51-33(41)28-26-24-22-20-18-16-14-12-10-8-6-4-2)30-50-53(4
7,48)52-39-37(45)35(43)34(42)36(44)38(39)46/h31,34-39,42-46H,3-30H2,1-2H3,(H,47,48)/t31-,34?,35-,36?,37?,38?,39-/m1/s1
InChIKeyOFVAIXJLDBACOV-FVAANCMESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassGlycerophospholipids
Main ClassGlycerophosphoinositols
Sub ClassPI (Phosphatidylinositols)
Pubchem CID52928400
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving PI 15:0/15:0

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

Table of KEGG human pathways containing PI 15:0/15:0

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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