In-Silico Structure Database (LMISSD)
Common Name
PE(18:1(11E)/18:2(9Z,12Z)(8OH[R]))
Systematic Name
1-(11E-octadecenoyl)-2-(8R-HODE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029A22
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
757.525772
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
CEBKRAYXGYUZFZ-CMUKOFDUSA-N
InChi (Click to copy)
InChI=1S/C41H76NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-28-32-40(44)48-36-39(37-50-52(46,47)49-35-34-42)51-41(45)33-29-25-24-27-31-38(43)30-26-22-20-12-10-8-6-4-2/h12-14,20,26,30,38-39,43H,3-11,15-19,21-25,27-29,31-37,42H2,1-2H3,(H,46,47)/b14-13+,20-12-,30-26-/t38-,39+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCC[C@@H](O)/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCC)=O