In-Silico Structure Database (LMISSD)
Common Name
PE(13:0/22:6(4Z,6E,10Z,13Z,16Z,19Z)(8OH))
Systematic Name
1-tridecanoyl-2-(8-HDoHE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AGZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
737.463172
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
LLFUVRWARINVJC-KTGDBTPSSA-N
InChi (Click to copy)
InChI=1S/C40H68NO9P/c1-3-5-7-9-11-13-15-16-17-19-21-25-29-37(42)30-26-23-24-28-32-40(44)50-38(36-49-51(45,46)48-34-33-41)35-47-39(43)31-27-22-20-18-14-12-10-8-6-4-2/h5,7,11,13,16-17,21,23-26,30,37-38,42H,3-4,6,8-10,12,14-15,18-20,22,27-29,31-36,41H2,1-2H3,(H,45,46)/b7-5-,13-11-,17-16-,24-23-,25-21-,30-26+/t37?,38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CC/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCC)=O