In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08019FUW
Common NamePIP2[3',5'](14:0/11:0)
Systematic Name1-tetradecanoyl-2-undecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
SynonymsPIP2[3',5'](25:0); PIP2(11:0_14:0)
Exact Mass
872.3489 (neutral)    Calculate m/z:
FormulaC34H67O19P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassDiacylglycerophosphoinositol bisphosphates [GP0801]
PubChem Compound ID (CID)-
InChIKeyWZXPZJIQLFACPD-SEEZCIKQSA-N
InChIInChI=1S/C34H67O19P3/c1-3-5-7-9-11-13-14-15-17-18-20-22-27(35)48-24-26(50-28(36)
23-21-19-16-12-10-8-6-4-2)25-49-56(46,47)53-34-30(38)32(51-54(40,41)42)29(37)33(
31(34)39)52-55(43,44)45/h26,29-34,37-39H,3-25H2,1-2H3,(H,46,47)(H2,40,41,42)(H2,
43,44,45)/t26-,29?,30?,31?,32-,33?,34-/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(CCCCCCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)