In-Silico Structure Database (LMISSD)
Common Name
PE(P-20:1(11Z)/18:2(8E,12Z)(10OH[S]))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(10S-HODE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029FUV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
769.562157
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
KFCIUOPBGTUBLF-PVLFPAGUSA-N
InChi (Click to copy)
InChI=1S/C43H80NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-24-28-32-37-49-39-42(40-51-53(47,48)50-38-36-44)52-43(46)35-31-27-23-22-26-30-34-41(45)33-29-25-10-8-6-4-2/h14-15,25,29-30,32,34,37,41-42,45H,3-13,16-24,26-28,31,33,35-36,38-40,44H2,1-2H3,(H,47,48)/b15-14-,29-25-,34-30+,37-32-/t41-,42+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCC/C=C/[C@@H](O)C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC