In-Silico Structure Database (LMISSD)
Common Name
PE(14:1(9Z)/8:1(6E)(5OH,8Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ALH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
577.301587
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
YBYABRAPLAKGHI-HNUHSQAPSA-N
InChi (Click to copy)
InChI=1S/C27H48NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-17-26(31)35-22-25(23-37-39(33,34)36-21-19-28)38-27(32)18-13-15-24(30)16-14-20-29/h5-6,14,16,20,24-25,30H,2-4,7-13,15,17-19,21-23,28H2,1H3,(H,33,34)/b6-5-,16-14+/t24?,25-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCC(O)/C=C/C=O)=O)COC(CCCCCCC/C=C\CCCC)=O