In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08059AAP
Common NameLPIP2[3',5'](O-14:0/0:0)
Systematic Name1-tetradecyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
Synonyms-
Exact Mass
690.2183 (neutral)    Calculate m/z:
FormulaC23H49O17P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassMonoalkylglycerophosphoinositol bisphosphates [GP0805]
PubChem Compound ID (CID)-
InChIKeyXZOVKFYSOMXXKY-OMSUCMKPSA-N
InChIInChI=1S/C23H49O17P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-36-15-17(24)16-37-43(34,3
5)40-23-19(26)21(38-41(28,29)30)18(25)22(20(23)27)39-42(31,32)33/h17-27H,2-16H2,
1H3,(H,34,35)(H2,28,29,30)(H2,31,32,33)/t17-,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(O)C(OP(=O)(O)O)C1O)COCCCCC
CCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)