In-Silico Structure Database (LMISSD)
Common Name
PE(15:1(9Z)/8:0(8OH,8Ke))
Systematic Name
1-(9Z-pentadecenoyl)-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AO6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
593.332887
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
OQOOHRQMROFLGI-CVUHLLMESA-N
InChi (Click to copy)
InChI=1S/C28H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-27(32)36-23-25(24-38-40(34,35)37-22-21-29)39-28(33)20-17-14-13-15-18-26(30)31/h6-7,25H,2-5,8-24,29H2,1H3,(H,30,31)(H,34,35)/b7-6-/t25-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC(=O)O)=O)COC(CCCCCCC/C=C\CCCCC)=O