In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09039AAN
Common NamePIP3[3',4',5'](P-16:0/17:2(9Z,12Z))
Systematic Name1-(1Z-hexadecenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3,
4,5-trisphosphate
SynonymsPIP3[3',4',5'](P-33:2); PIP3(P-16:0_17:2)
Exact Mass
1044.4143 (neutral)    Calculate m/z:
FormulaC42H80O21P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoinositol trisphosphates [GP0903]
PubChem Compound ID (CID)-
InChIKey-
InChI-
SMILES[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=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)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)