In-Silico Structure Database (LMISSD)
Common Name
PE(O-18:1(9Z)/22:1(13Z))
Systematic Name
1-(9Z-octadecenyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02029ARW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
785.629842
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
String Representations
InChiKey (Click to copy)
HEDSFDSIUIEEHL-OHRCZFALSA-N
InChi (Click to copy)
InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,44H,3-16,21-43,46H2,1-2H3,(H,48,49)/b19-17-,20-18-/t44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC