In-Silico Structure Database (LMISSD)
Common Name
PE(P-16:1(9Z)/18:1(11E))
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-(11E-octadecenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039AFB
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-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
ZUGZICIOMBXLFS-ZDJGTWMASA-N
InChi (Click to copy)
InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13-16,31,34,38H,3-12,17-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13+,16-14-,34-31-/t38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC