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ONTOLOGY REPORT - ANNOTATIONS


Term:D-myo-Ins(1,4,5)P3 hexakis(butyryloxymethyl) ester
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Accession:CHEBI:138527 term browser browse the term
Definition:A phosphatidylinositol trisphosphate that is 1D-myo-inositol 1,4,5-trisphosphate in which all all six phosphate hydrogens have been replaced by butyryloxymethyl groups. It is a cell-permeant analogue of inositol 1,4,5-trisphosphate and an agonist of the inositol 1,4,5-trisphosphate receptor.
Synonyms:exact_synonym: [(1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl]tris[oxyphosphorylbis(oxymethylene)] hexabutanoate;   [(1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl]tris[oxyphosphorylbis(oxymethylene)] hexabutyrate
 related_synonym: (-)-1D-myo-inositol 1,4,5-triphosphate hexakis(butyryloxymethyl) ester;   D-myo-Ins(1,4,5)P3 hexakis(butanoyloxymethyl) ester;   Formula=C36H63O27P3;   IP3/BM;   InChI=1S/C36H63O27P3/c1-7-13-25(37)49-19-55-64(46,56-20-50-26(38)14-8-2)61-34-31(43)32(44)35(62-65(47,57-21-51-27(39)15-9-3)58-22-52-28(40)16-10-4)36(33(34)45)63-66(48,59-23-53-29(41)17-11-5)60-24-54-30(42)18-12-6/h31-36,43-45H,7-24H2,1-6H3/t31-,32+,33+,34-,35-,36-/m1/s1;   InChIKey=PVEVFIAVCISJSO-FOJCDXFYSA-N;   SMILES=[C@@H]1([C@@H]([C@@H](O)[C@H]([C@H]([C@@H]1O)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)O)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC
 xref: CAS:209479-81-2 "SUBMITTER";   PMID:12522076 "Europe PMC";   PMID:28390800 "Europe PMC";   Reaxys:10757630 "Reaxys"


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  CHEBI ontology 19734
    role 19680
      biological role 19678
        pharmacological role 18794
          agonist 18176
            IP3 receptor agonist 0
              D-myo-Ins(1,4,5)P3 hexakis(butyryloxymethyl) ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      chalcogen 19323
                        oxygen atom 19284
                          oxygen molecular entity 19284
                            hydroxides 19042
                              oxoacid 18106
                                pnictogen oxoacid 9849
                                  phosphorus oxoacid 8671
                                    phosphoric acids 7340
                                      phosphoric acid 7340
                                        phosphoric acid derivative 6991
                                          phosphate 6991
                                            organic phosphate 6990
                                              phospholipid 288
                                                glycerophospholipid 196
                                                  glycerophosphoinositol 19
                                                    phosphatidylinositol 19
                                                      phosphoinositide 2
                                                        phosphatidylinositol phosphate 2
                                                          phosphatidylinositol trisphosphate 0
                                                            D-myo-Ins(1,4,5)P3 hexakis(butyryloxymethyl) ester 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.