In-Silico Structure Database (LMISSD)
Common Name
LPE(20:4(5Z,8Z,11Z,13E)/0:0)
Systematic Name
1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02059ABK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
501.285542
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
Monoacylglycerophosphoethanolamines [GP0205]
String Representations
InChiKey (Click to copy)
TYSNCPIUTJYZPH-VPGVKYEXSA-N
InChi (Click to copy)
InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h7-10,12-13,15-16,24,27H,2-6,11,14,17-23,26H2,1H3,(H,29,30)/b8-7+,10-9-,13-12-,16-15-/t24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(O)COC(CCC/C=CC/C=CC/C=CC=CCCCCCC)=O