In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08059AAQ
Common NameLPIP2[3',5'](O-16:0/0:0)
Systematic Name1-hexadecyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
Synonyms-
Exact Mass
718.2496 (neutral)    Calculate m/z:
FormulaC25H53O17P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassMonoalkylglycerophosphoinositol bisphosphates [GP0805]
PubChem Compound ID (CID)-
InChIKeyVCWXYFILFMANPJ-AURXHCIBSA-N
InChIInChI=1S/C25H53O17P3/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/h19-29H,2
-18H2,1H3,(H,36,37)(H2,30,31,32)(H2,33,34,35)/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(O)C(OP(=O)(O)O)C1O)COCCCCC
CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)