In-Silico Structure Database (LMISSD)
Common Name
PE(11:0/22:6(4Z,7Z,11E,13Z,16Z,19Z)(10OH))
Systematic Name
1-undecanoyl-2-(10-HDoHE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ADD
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)
WVINJPDYPYCCKQ-GZRILNLFSA-N
InChi (Click to copy)
InChI=1S/C38H64NO9P/c1-3-5-7-9-11-13-14-15-19-23-27-35(40)28-24-20-17-18-22-26-30-38(42)48-36(34-47-49(43,44)46-32-31-39)33-45-37(41)29-25-21-16-12-10-8-6-4-2/h5,7,11,13,15,18-20,22-24,27,35-36,40H,3-4,6,8-10,12,14,16-17,21,25-26,28-34,39H2,1-2H3,(H,43,44)/b7-5-,13-11-,19-15-,22-18-,24-20-,27-23+/t35?,36-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCC)=O