In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08019ABL
Common NamePIP2[3',4'](10:0/20:4(5Z,8Z,11Z,14Z))
Systematic Name1-decanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-
bisphosphate
SynonymsPIP2[3',4'](30:4); PIP2(10:0_20:4)
Exact Mass
934.3646 (neutral)    Calculate m/z:
FormulaC39H69O19P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassDiacylglycerophosphoinositol bisphosphates [GP0801]
PubChem Compound ID (CID)-
InChIKeyRODOMYSWTUESDY-IZMPYWBESA-N
InChIInChI=1S/C39H69O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)
55-31(29-53-32(40)27-25-23-21-10-8-6-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-
59(45,46)47)39(36(37)44)57-60(48,49)50/h11-12,14-15,17-18,20,22,31,34-39,42-44H,
3-10,13,16,19,21,23-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b12-11-,15-14
-,18-17-,22-20-/t31-,34?,35?,36?,37+,38?,39+/m1/s1
SMILES[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(
O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)