In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08019GFN
Common NamePIP2[3',5'](17:2(9Z,12Z)/11:0)
Systematic Name1-(9Z,12Z-heptadecadienoyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,5-
bisphosphate
SynonymsPIP2[3',5'](28:2); PIP2(11:0_17:2)
Exact Mass
910.3646 (neutral)    Calculate m/z:
FormulaC37H69O19P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassDiacylglycerophosphoinositol bisphosphates [GP0801]
PubChem Compound ID (CID)-
InChIKeyLOFXBDZNDJOQPN-GCJRWAKUSA-N
InChIInChI=1S/C37H69O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-30(38)51-27-29(
53-31(39)26-24-22-19-12-10-8-6-4-2)28-52-59(49,50)56-37-33(41)35(54-57(43,44)45)
32(40)36(34(37)42)55-58(46,47)48/h9,11,14-15,29,32-37,40-42H,3-8,10,12-13,16-28H
2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b11-9-,15-14-/t29-,32?,33?,34?,35-,3
6?,37-/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(
O)O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)