In-Silico Structure Database (LMISSD)
Common Name
PE(O-16:1(11Z)/15:0)
Systematic Name
1-(11Z-hexadecenyl)-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02029AHD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
661.504642
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
String Representations
InChiKey (Click to copy)
RKWJPRBTDSTUNA-OJOCICPLSA-N
InChi (Click to copy)
InChI=1S/C36H72NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37)44-36(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11,35H,3-8,10,12-34,37H2,1-2H3,(H,39,40)/b11-9-/t35-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCC