In-Silico Structure Database (LMISSD)
Common Name
PE(14:1(9Z)/9:0(9Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ALJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
577.337972
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
MXJKILQCIFFVID-FTDLSCCJSA-N
InChi (Click to copy)
InChI=1S/C28H52NO9P/c1-2-3-4-5-6-7-8-9-10-13-16-19-27(31)35-24-26(25-37-39(33,34)36-23-21-29)38-28(32)20-17-14-11-12-15-18-22-30/h5-6,22,26H,2-4,7-21,23-25,29H2,1H3,(H,33,34)/b6-5-/t26-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCC=O)=O)COC(CCCCCCC/C=C\CCCC)=O