In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06019ACS
Common NamePI(11:0/15:1(9Z))
Systematic Name1-undecanoyl-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol
SynonymsPI(26:1); PI(11:0_15:1)
Exact Mass
724.4163 (neutral)    Calculate m/z:
FormulaC35H65O13P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassDiacylglycerophosphoinositols [GP0601]
PubChem Compound ID (CID)-
InChIKeyRNBSHZLLHASTRU-STYKHDPASA-N
InChIInChI=1S/C35H65O13P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-29(37)47-27(25-45-28(3
6)23-21-19-17-12-10-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)4
2/h11,13,27,30-35,38-42H,3-10,12,14-26H2,1-2H3,(H,43,44)/b13-11-/t27-,30?,31-,32
?,33?,34?,35-/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC
(CCCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)