In-Silico Structure Database (LMISSD)
Common Name
PE(O-16:0/26:2(5Z,9E))
Systematic Name
1-hexadecyl-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02029AGS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
813.661142
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
String Representations
InChiKey (Click to copy)
WNOBFCLJHZALHU-KVWXCSJPSA-N
InChi (Click to copy)
InChI=1S/C47H92NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h26-27,32,34,46H,3-25,28-31,33,35-45,48H2,1-2H3,(H,50,51)/b27-26+,34-32-/t46-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCC