In-Silico Structure Database (LMISSD)
Common Name
PE(P-16:1(9Z)/17:0)
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-heptadecanoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039AE7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
687.520292
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
FVGOTCVOLQCVRG-RFKJMFKXSA-N
InChi (Click to copy)
InChI=1S/C38H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(40)46-37(36-45-47(41,42)44-34-32-39)35-43-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,30,33,37H,3-13,15,17-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b16-14-,33-30-/t37-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC