In-Silico Structure Database (LMISSD)
Common Name
PE(11:0/20:4(5Z,7E,11Z,14Z)(9OH[S]))
Systematic Name
1-undecanoyl-2-(9S-HETE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ACW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
685.431872
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
PGCFPKXPXHLNAY-FKQFKHSGSA-N
InChi (Click to copy)
InChI=1S/C36H64NO9P/c1-3-5-7-9-11-13-14-17-21-25-33(38)26-22-18-16-20-24-28-36(40)46-34(32-45-47(41,42)44-30-29-37)31-43-35(39)27-23-19-15-12-10-8-6-4-2/h11,13,16-18,21-22,26,33-34,38H,3-10,12,14-15,19-20,23-25,27-32,37H2,1-2H3,(H,41,42)/b13-11-,18-16-,21-17-,26-22+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O