In-Silico Structure Database (LMISSD)
Common Name
PE(P-22:1(9Z)/30:0)
Systematic Name
1-(1Z,9Z-docosenyl)-2-triacontanoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039A1O
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
953.817642
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
YQOJOKRTFZMLLC-ZEDUYYFSSA-N
InChi (Click to copy)
InChI=1S/C57H112NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-57(59)65-56(55-64-66(60,61)63-53-51-58)54-62-52-49-47-45-43-41-39-37-35-33-24-22-20-18-16-14-12-10-8-6-4-2/h33,35,49,52,56H,3-32,34,36-48,50-51,53-55,58H2,1-2H3,(H,60,61)/b35-33-,52-49-/t56-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC