In-Silico Structure Database (LMISSD)
Common Name
PE(11:0/22:6(5E,7Z,10Z,13Z,16Z,19Z)(4OH))
Systematic Name
1-undecanoyl-2-(4-HDoHE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ADG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
709.431872
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
YIEIASGQJKFTCB-BTZKATNGSA-N
InChi (Click to copy)
InChI=1S/C38H64NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-35(40)29-30-38(42)48-36(34-47-49(43,44)46-32-31-39)33-45-37(41)28-26-24-22-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21,23,25,27,35-36,40H,3-4,6,8-10,12,14,17,20,22,24,26,28-34,39H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-15-,19-18-,23-21-,27-25+/t35?,36-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCC)=O