In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02079AAD
Common NameLPE(P-16:1(9Z)/0:0)
Systematic Name1-(1Z,9Z-hexadecadienyl)-sn-glycero-3-phosphoethanolamine
Synonyms-
Exact Mass
435.2750 (neutral)    Calculate m/z:
FormulaC21H42NO6P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1Z-alkenylglycerophosphoethanolamines [GP0207]
PubChem Compound ID (CID)-
InChIKeyZDQOUHMYLFNCIP-RQMBFADUSA-N
InChIInChI=1S/C21H42NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29
(24,25)27-18-16-22/h7-8,15,17,21,23H,2-6,9-14,16,18-20,22H2,1H3,(H,24,25)/b8-7-,
17-15-/t21-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(O)CO/C=CCCCCCC/C=CCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)