In-Silico Structure Database (LMISSD)
Common Name
PE(14:1(9Z)/7:1(5E)(4OH,7Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ALB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
563.285937
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
PTPCYFGXWOURNE-ZVAOBNBSSA-N
InChi (Click to copy)
InChI=1S/C26H46NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-15-25(30)34-21-24(22-36-38(32,33)35-20-18-27)37-26(31)17-16-23(29)14-13-19-28/h5-6,13-14,19,23-24,29H,2-4,7-12,15-18,20-22,27H2,1H3,(H,32,33)/b6-5-,14-13+/t23?,24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC(O)/C=C/C=O)=O)COC(CCCCCCC/C=C\CCCC)=O