In-Silico Structure Database (LMISSD)
Common Name
PE(O-16:1(11Z)/17:2(9Z,12Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02029AHK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
685.504642
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
String Representations
InChiKey (Click to copy)
YOYXDGSVEQIJOW-YEPVOFBVSA-N
InChi (Click to copy)
InChI=1S/C38H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(40)46-37(36-45-47(41,42)44-34-32-39)35-43-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,15,17,37H,3-8,13-14,16,18-36,39H2,1-2H3,(H,41,42)/b11-9-,12-10-,17-15-/t37-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COCCCCCCCCCC/C=C\CCCC