In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06029AAK
Common NamePI(O-14:0/16:1(9Z))
Systematic Name1-tetradecyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol
SynonymsPI(O-30:1); PI(O-14:0/16:1)
Exact Mass
766.4996 (neutral)    Calculate m/z:
FormulaC39H75O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub Class1-alkyl,2-acylglycerophosphoinositols [GP0602]
PubChem Compound ID (CID)-
InChIKeyRPLBANFCFWSIRX-AUPNAYCOSA-N
InChIInChI=1S/C39H75O12P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33(40)50-32(30-48-2
9-27-25-23-21-19-16-14-12-10-8-6-4-2)31-49-52(46,47)51-39-37(44)35(42)34(41)36(4
3)38(39)45/h13,15,32,34-39,41-45H,3-12,14,16-31H2,1-2H3,(H,46,47)/b15-13-/t32-,3
4?,35-,36?,37?,38?,39-/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO
CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)