In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08049AAN
Common NameLPIP2[3',4'](17:2(9Z,12Z)/0:0)
Systematic Name1-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
Synonyms-
Exact Mass
742.2132 (neutral)    Calculate m/z:
FormulaC26H49O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassMonoacylglycerophosphoinositol bisphosphates [GP0804]
PubChem Compound ID (CID)-
InChIKeyQPFVTYOXXTWHPK-ABNIEULSSA-N
InChIInChI=1S/C26H49O18P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(28)40-17-19(27)1
8-41-47(38,39)44-24-21(29)22(30)25(42-45(32,33)34)26(23(24)31)43-46(35,36)37/h5-
6,8-9,19,21-27,29-31H,2-4,7,10-18H2,1H3,(H,38,39)(H2,32,33,34)(H2,35,36,37)/b6-5
-,9-8-/t19-,21?,22?,23?,24+,25?,26+/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
CCCC/C=CC/C=CCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)