In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08069AAP
Common NameLPIP2[3',5'](P-16:1(11Z)/0:0)
Systematic Name1-(1Z,11Z-hexadecadienyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
Synonyms-
Exact Mass
714.2183 (neutral)    Calculate m/z:
FormulaC25H49O17P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub Class1Z-alkenylglycerophosphoinositol bisphosphates [GP0806]
PubChem Compound ID (CID)-
InChIKeyAYASJRBMJRPMJK-SNYBAEKNSA-N
InChIInChI=1S/C25H49O17P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-38-17-19(26)18-39-4
5(36,37)42-25-21(28)23(40-43(30,31)32)20(27)24(22(25)29)41-44(33,34)35/h5-6,15-1
6,19-29H,2-4,7-14,17-18H2,1H3,(H,36,37)(H2,30,31,32)(H2,33,34,35)/b6-5-,16-15-/t
19-,20?,21?,22?,23-,24?,25-/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)CO/C=CC
CCCCCCC/C=CCCCC
MS Spectra-     
StatusActive (generated by computational methods)