In-Silico Structure Database (LMISSD)
Common Name
PE(15:1(9Z)/22:6(4Z,7Z,11E,13Z,16Z,19Z)(10OH))
Systematic Name
1-(9Z-pentadecenoyl)-2-(10-HDoHE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AOP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
763.478822
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
HAEILEBCOLHNHU-XOUKMQCASA-N
InChi (Click to copy)
InChI=1S/C42H70NO9P/c1-3-5-7-9-11-13-15-16-18-20-25-29-33-41(45)49-37-40(38-51-53(47,48)50-36-35-43)52-42(46)34-30-26-22-21-24-28-32-39(44)31-27-23-19-17-14-12-10-8-6-4-2/h6,8,11-14,19,22-24,26-28,31,39-40,44H,3-5,7,9-10,15-18,20-21,25,29-30,32-38,43H2,1-2H3,(H,47,48)/b8-6-,13-11-,14-12-,23-19-,26-22-,28-24-,31-27+/t39?,40-/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(CCCCCCC/C=C\CCCCC)=O