In-Silico Structure Database (LMISSD)
Common Name
PE(11:0/20:4(5Z,8Z,11Z,13E)(15OH[S]))
Systematic Name
1-undecanoyl-2-(15S-HETE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AC0
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)
LUMBWPDORBYIOT-YOLHVLEMSA-N
InChi (Click to copy)
InChI=1S/C36H64NO9P/c1-3-5-7-8-9-16-19-23-27-35(39)43-31-34(32-45-47(41,42)44-30-29-37)46-36(40)28-24-20-17-14-12-10-11-13-15-18-22-26-33(38)25-21-6-4-2/h10-11,14-15,17-18,22,26,33-34,38H,3-9,12-13,16,19-21,23-25,27-32,37H2,1-2H3,(H,41,42)/b11-10-,17-14-,18-15-,26-22+/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCCC)=O)COC(CCCCCCCCCC)=O