In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08049AAE
Common NameLPIP2[3',4'](14:0/0:0)
Systematic Name1-tetradecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
Synonyms-
Exact Mass
704.1975 (neutral)    Calculate m/z:
FormulaC23H47O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassMonoacylglycerophosphoinositol bisphosphates [GP0804]
PubChem Compound ID (CID)-
InChIKeyRLMZDTVFEKFYAI-PVYSQFNLSA-N
InChIInChI=1S/C23H47O18P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(25)37-14-16(24)15-38-44(3
5,36)41-21-18(26)19(27)22(39-42(29,30)31)23(20(21)28)40-43(32,33)34/h16,18-24,26
-28H,2-15H2,1H3,(H,35,36)(H2,29,30,31)(H2,32,33,34)/t16-,18?,19?,20?,21+,22?,23+
/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCC
CCCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)