In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02059AA1
Common NameLPE(18:2(9E,12E)/0:0)
Systematic Name1-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
Synonyms-
Exact Mass
477.2855 (neutral)    Calculate m/z:
FormulaC23H44NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub ClassMonoacylglycerophosphoethanolamines [GP0205]
PubChem Compound ID (CID)-
InChIKeyDBHKHNGBVGWQJE-JIQJGXDYSA-N
InChIInChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25
)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6
+,10-9+/t22-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(O)COC(CCCCCCC/C=C/C/C=C/CCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)