In-Silico Structure Database (LMISSD)
Common Name
PE(P-16:1(11Z)/31:0)
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-hentriacontanoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039AEN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
883.739392
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
LBBURSPWZHSADZ-UVRHHGKNSA-N
InChi (Click to copy)
InChI=1S/C52H102NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-52(54)60-51(50-59-61(55,56)58-48-46-53)49-57-47-44-42-40-38-36-34-18-16-14-12-10-8-6-4-2/h10,12,44,47,51H,3-9,11,13-43,45-46,48-50,53H2,1-2H3,(H,55,56)/b12-10-,47-44-/t51-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC