In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02079AAL
Common NameLPE(P-22:1(11Z)/0:0)
Systematic Name1-(1Z,11Z-docosenyl)-sn-glycero-3-phosphoethanolamine
Synonyms-
Exact Mass
519.3689 (neutral)    Calculate m/z:
FormulaC27H54NO6P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1Z-alkenylglycerophosphoethanolamines [GP0207]
PubChem Compound ID (CID)-
InChIKeyARIPGMQQVBPJNC-GJUGQTGHSA-N
InChIInChI=1S/C27H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32
-25-27(29)26-34-35(30,31)33-24-22-28/h11-12,21,23,27,29H,2-10,13-20,22,24-26,28H
2,1H3,(H,30,31)/b12-11-,23-21-/t27-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(O)CO/C=CCCCCCCCC/C=CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)