In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09029AA7
Common NamePIP3[3',4',5'](O-14:0/18:4(9E,11E,13E,15E))
Systematic Name1-tetradecyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-
phosphoinositol-3,4,5-trisphosphate
SynonymsPIP3[3',4',5'](O-32:4); PIP3(O-14:0_18:4)
Exact Mass
1028.3830 (neutral)    Calculate m/z:
FormulaC41H76O21P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub Class1-alkyl,2-acylglycerophosphoinositol trisphosphates [GP0902]
PubChem Compound ID (CID)-
InChIKey-
InChI-
SMILES[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=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)