In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07039AG8
Common NamePIP2[3',4'](P-14:0/11:0)
Systematic Name1-(1Z-tetradecenyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
SynonymsPIP2[3',4'](P-25:0); PIP2(P-14:0_11:0)
Exact Mass
856.3540 (neutral)    Calculate m/z:
FormulaC34H67O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoinositol monophosphates [GP0703]
PubChem Compound ID (CID)-
InChIKeyUWHXIQTXJUUVFE-HFTIARHTSA-N
InChIInChI=1S/C34H67O18P3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-47-25-27(49-28(35)23-
21-19-17-12-10-8-6-4-2)26-48-55(45,46)52-32-29(36)30(37)33(50-53(39,40)41)34(31(
32)38)51-54(42,43)44/h22,24,27,29-34,36-38H,3-21,23,25-26H2,1-2H3,(H,45,46)(H2,3
9,40,41)(H2,42,43,44)/b24-22-/t27-,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(OP(=O)(O)O)
C(O)C1O)CO/C=C\CCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)