In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08059AAC
Common NameLPIP2[3',4'](O-16:1(11Z)/0:0)
Systematic Name1-(11Z-hexadecenyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
Synonyms-
Exact Mass
716.2339 (neutral)    Calculate m/z:
FormulaC25H51O17P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassMonoalkylglycerophosphoinositol bisphosphates [GP0805]
PubChem Compound ID (CID)-
InChIKeyCUUNOTLLOVFGKJ-YSTLPRSKSA-N
InChIInChI=1S/C25H51O17P3/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)42-23-20(27)21(28)24(40-43(30,31)32)25(22(23)29)41-44(33,34)35/h5-6,19-2
9H,2-4,7-18H2,1H3,(H,36,37)(H2,30,31,32)(H2,33,34,35)/b6-5-/t19-,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(OP(=O)(O)O)C(O)C1O)COCCCCC
CCCCC/C=CCCCC
MS Spectra-     
StatusActive (generated by computational methods)