In-Silico Structure Database (LMISSD)
Common Name
PE(O-14:0/20:3(8Z,11Z,14Z))
Systematic Name
1-tetradecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02029ABH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
699.520292
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
String Representations
InChiKey (Click to copy)
NZLGRYKQPNKMJV-IRHHTPKQSA-N
InChi (Click to copy)
InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,38H,3-10,12,14-16,19,22-37,40H2,1-2H3,(H,42,43)/b13-11-,18-17-,21-20-/t38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCCCCCC