In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08029AAB
Common NamePIP2[3',4'](O-14:0/11:0)
Systematic Name1-tetradecyl-2-undecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
SynonymsPIP2[3',4'](O-25:0); PIP2(O-14:0_11:0)
Exact Mass
858.3697 (neutral)    Calculate m/z:
FormulaC34H69O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub Class1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
PubChem Compound ID (CID)-
InChIKeyIDQGVHAACOKBJJ-RNFCZBIKSA-N
InChIInChI=1S/C34H69O18P3/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/h27,29-34,36-38H,3-26H2,1-2H3,(H,45,46)(H2,39,40,41)(H2,42,
43,44)/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)COCCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)