In-Silico Structure Database (LMISSD)
Common Name
PS(11:0/20:4(5Z,7E,11Z,14Z)(9Ke))
Systematic Name
1-undecanoyl-2-(9-Oxo-ETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ACV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
727.406052
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
OFDWHZDJIVJOTB-VISSKECZSA-N
InChi (Click to copy)
InChI=1S/C37H62NO11P/c1-3-5-7-9-11-13-14-17-21-25-32(39)26-22-18-16-20-24-28-36(41)49-33(30-47-50(44,45)48-31-34(38)37(42)43)29-46-35(40)27-23-19-15-12-10-8-6-4-2/h11,13,16-18,21-22,26,33-34H,3-10,12,14-15,19-20,23-25,27-31,38H2,1-2H3,(H,42,43)(H,44,45)/b13-11-,18-16-,21-17-,26-22+/t33-,34+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C=C\C(=O)C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O)(=O)O