In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08019AN4
Common NamePIP2[3',4'](15:0/10:0)
Systematic Name1-pentadecanoyl-2-decanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
SynonymsPIP2[3',4'](25:0); PIP2(10:0_15:0)
Exact Mass
872.3489 (neutral)    Calculate m/z:
FormulaC34H67O19P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassDiacylglycerophosphoinositol bisphosphates [GP0801]
PubChem Compound ID (CID)-
InChIKeyOXIGTNAUBIHUOT-KQYBXSGZSA-N
InChIInChI=1S/C34H67O19P3/c1-3-5-7-9-11-12-13-14-15-17-18-20-22-27(35)48-24-26(50-28(
36)23-21-19-16-10-8-6-4-2)25-49-56(46,47)53-32-29(37)30(38)33(51-54(40,41)42)34(
31(32)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(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C
(O)C1O)COC(CCCCCCCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)