In-Silico Structure Database (LMISSD)
Common Name
PE(15:0/22:6(4Z,7Z,10Z,13Z,15E,19Z)(17OH))
Systematic Name
1-pentadecanoyl-2-(17-HDoHE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AMP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
765.494472
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
SRRSOIXURAEFOX-IFFPSZHOSA-N
InChi (Click to copy)
InChI=1S/C42H72NO9P/c1-3-5-7-8-9-10-11-16-19-22-25-29-33-41(45)49-37-40(38-51-53(47,48)50-36-35-43)52-42(46)34-30-26-23-20-17-14-12-13-15-18-21-24-28-32-39(44)31-27-6-4-2/h6,13-15,17,21,23-24,26-28,32,39-40,44H,3-5,7-12,16,18-20,22,25,29-31,33-38,43H2,1-2H3,(H,47,48)/b15-13-,17-14-,24-21-,26-23-,27-6-,32-28+/t39?,40-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)C/C=C\CC)=O)COC(CCCCCCCCCCCCCC)=O