In-Silico Structure Database (LMISSD)
Common Name
PE(P-14:0/18:1(9E))
Systematic Name
1-(1Z-tetradecenyl)-2-(9E-octadecenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039DD1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
673.504642
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
KTOBDTMBXPFJPM-QXYLQPOQSA-N
InChi (Click to copy)
InChI=1S/C37H72NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-37(39)45-36(35-44-46(40,41)43-33-31-38)34-42-32-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,29,32,36H,3-16,19-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b18-17+,32-29-/t36-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC