RefMet Compound Details

MW structure37577 (View MW Metabolite Database details)
RefMet nameInositol 1,3,4,5-tetraphosphate
Systematic name{[(1R,2S,4S,5S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
SMILES[C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass499.928722 (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
FormulaC6H16O18P4View other entries in RefMet with this formula
InChIInChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(
H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKeyCIPFCGZLFXVXBG-CNWJWELYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassAlcohols and polyols
Sub ClassInositols
Pubchem CID107758
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Inositol 1,3,4,5-tetraphosphate

Rxn IDKEGG ReactionEnzyme
R03428 ATP + 1D-myo-Inositol 1,3,4-trisphosphate <=> ADP + 1D-myo-Inositol 1,3,4,5-tetrakisphosphateATP:1D-myo-inositol-1,3,4-trisphosphate 5-phosphotransferase
R03430 1D-myo-Inositol 1,3,4,5-tetrakisphosphate + H2O <=> 1D-myo-Inositol 1,3,4-trisphosphate + OrthophosphateD-myo-Inositol 1,3,4,5-tetrakisphosphate 5-phosphohydrolase
R03433 ATP + D-myo-Inositol 1,4,5-trisphosphate <=> ADP + 1D-myo-Inositol 1,3,4,5-tetrakisphosphateATP:1D-myo-inositol-1,4,5-trisphosphate 3-phosphotransferase
R03434 1D-myo-Inositol 1,3,4,5-tetrakisphosphate + H2O <=> D-myo-Inositol 1,4,5-trisphosphate + OrthophosphateD-myo-Inositol 1,3,4,5-tetrakisphosphate 3-phosphohydrolase
R10953 ATP + 1D-myo-Inositol 1,3,4,5-tetrakisphosphate <=> ADP + 1D-myo-Inositol 1,3,4,5,6-pentakisphosphateATP:1D-myo-inositol-1,3,4,5-tetrakisphosphate 6-phosphotransferase

Table of KEGG human pathways containing Inositol 1,3,4,5-tetraphosphate

Pathway IDHuman Pathway# of reactions
hsa00562 Inositol phosphate metabolism 4
hsa04070 Phosphatidylinositol signaling system 3
  logo