In-Silico Structure Database (LMISSD)
Common Name
PE(14:1(9Z)/8:0(8OH,8Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ALE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
579.317237
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
XJZABYIDDHITSN-VRWDYKOXSA-N
InChi (Click to copy)
InChI=1S/C27H50NO10P/c1-2-3-4-5-6-7-8-9-10-11-15-18-26(31)35-22-24(23-37-39(33,34)36-21-20-28)38-27(32)19-16-13-12-14-17-25(29)30/h5-6,24H,2-4,7-23,28H2,1H3,(H,29,30)(H,33,34)/b6-5-/t24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC(=O)O)=O)COC(CCCCCCC/C=C\CCCC)=O