In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02079AAJ
Common NameLPE(P-20:1(9Z)/0:0)
Systematic Name1-(1Z,9Z-eicosadienyl)-sn-glycero-3-phosphoethanolamine
Synonyms-
Exact Mass
491.3376 (neutral)    Calculate m/z:
FormulaC25H50NO6P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1Z-alkenylglycerophosphoethanolamines [GP0207]
PubChem Compound ID (CID)-
InChIKeyZKDWQTPATVRECR-WMODUOEASA-N
InChIInChI=1S/C25H50NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-25
(27)24-32-33(28,29)31-22-20-26/h11-12,19,21,25,27H,2-10,13-18,20,22-24,26H2,1H3,
(H,28,29)/b12-11-,21-19-/t25-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(O)CO/C=CCCCCCC/C=CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)