In-Silico Structure Database (LMISSD)
Common Name
PE(P-16:1(11Z)/13:0)
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-tridecanoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039ACO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
631.457692
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
VHZMTVWOQYDZKH-XAMVBXMDSA-N
InChi (Click to copy)
InChI=1S/C34H66NO7P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-29-39-31-33(32-41-43(37,38)40-30-28-35)42-34(36)27-25-23-21-19-14-12-10-8-6-4-2/h9,11,26,29,33H,3-8,10,12-25,27-28,30-32,35H2,1-2H3,(H,37,38)/b11-9-,29-26-/t33-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC