In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06059AAE
Common NameLPI(14:0/0:0)
Systematic Name1-tetradecanoyl-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
544.2649 (neutral)    Calculate m/z:
FormulaC23H45O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoacylglycerophosphoinositols [GP0605]
PubChem Compound ID (CID)-
InChIKeyFEWCZOSQEKFJGK-QZWSCDLUSA-N
InChIInChI=1S/C23H45O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(25)33-14-16(24)15-34-36(31
,32)35-23-21(29)19(27)18(26)20(28)22(23)30/h16,18-24,26-30H,2-15H2,1H3,(H,31,32)
/t16-,18?,19-,20?,21?,22?,23-/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)