In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06039DDL
Common NamePI(P-14:0/15:0)
Systematic Name1-(1Z-tetradecenyl)-2-pentadecanoyl-sn-glycero-3-phosphoinositol
SynonymsPI(P-29:0); PI(P-14:0/15:0)
Exact Mass
752.4840 (neutral)    Calculate m/z:
FormulaC38H73O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603]
PubChem Compound ID (CID)-
InChIKeyTXWRUDQAZVHZCY-POTYSHSWSA-N
InChIInChI=1S/C38H73O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(39)49-31(29-47-28-2
6-24-22-20-18-16-14-12-10-8-6-4-2)30-48-51(45,46)50-38-36(43)34(41)33(40)35(42)3
7(38)44/h26,28,31,33-38,40-44H,3-25,27,29-30H2,1-2H3,(H,45,46)/b28-26-/t31-,33?,
34-,35?,36?,37?,38-/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C
\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)