In-Silico Structure Database (LMISSD)
Common Name
PE(P-18:1(9Z)/17:2(9Z,12Z))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039AL6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
711.520292
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
KLQKKUHIGVNMPI-HPUFWVHFSA-N
InChi (Click to copy)
InChI=1S/C40H74NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41)48-40(42)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16-19,32,35,39H,3-9,11,13-15,20-31,33-34,36-38,41H2,1-2H3,(H,43,44)/b12-10-,18-16-,19-17-,35-32-/t39-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC