In-Silico Structure Database (LMISSD)
Common Name
PE(O-14:0/26:2(5Z,9E))
Systematic Name
1-tetradecyl-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02029AB6
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)
UJYZMNLJBRVZLN-VBQVAKOFSA-N
InChi (Click to copy)
InChI=1S/C45H88NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-16-14-12-10-8-6-4-2/h25-26,30,32,44H,3-24,27-29,31,33-43,46H2,1-2H3,(H,48,49)/b26-25+,32-30-/t44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCC