In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06069AAC
Common NameLPI(O-16:1(11Z)/0:0)
Systematic Name1-(11Z-hexadecenyl)-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
556.3013 (neutral)    Calculate m/z:
FormulaC25H49O11P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoalkylglycerophosphoinositols [GP0606]
PubChem Compound ID (CID)-
InChIKeyIEVCYZDUQXLIEI-AKZDZCHGSA-N
InChIInChI=1S/C25H49O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-34-17-19(26)18-35-37
(32,33)36-25-23(30)21(28)20(27)22(29)24(25)31/h5-6,19-31H,2-4,7-18H2,1H3,(H,32,3
3)/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](O)C(O)C(O)C1O)COCCCCCCCCCC/C=CCCCC
MS Spectra-     
StatusActive (generated by computational methods)