In-Silico Structure Database (LMISSD)
Common Name
PE(O-16:1(11Z)/18:4(9E,11E,13E,15E))
Systematic Name
1-(11Z-hexadecenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02029AH4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
695.488992
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
String Representations
InChiKey (Click to copy)
GYVNZDQIQNGOMZ-HMJGNUIJSA-N
InChi (Click to copy)
InChI=1S/C39H70NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,9-13,15,17,19,38H,3-4,6,8,14,16,18,20-37,40H2,1-2H3,(H,42,43)/b7-5+,11-9+,12-10-,15-13+,19-17+/t38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COCCCCCCCCCC/C=C\CCCC