In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09029ABF
Common NamePIP3[3',4',5'](O-14:0/20:2(5Z,8Z))
Systematic Name1-tetradecyl-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-
trisphosphate
SynonymsPIP3[3',4',5'](O-34:2); PIP3(O-14:0_20:2)
Exact Mass
1060.4456 (neutral)    Calculate m/z:
FormulaC43H84O21P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub Class1-alkyl,2-acylglycerophosphoinositol trisphosphates [GP0902]
PubChem Compound ID (CID)-
InChIKey-
InChI-
SMILES[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)
O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)