In-Silico Structure Database (LMISSD)
Common Name
PS(16:0/20:4(5Z,8Z,12E,14Z)(11Ke))
Systematic Name
1-hexadecanoyl-2-(11-oxo-ETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AP9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
797.484302
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
DSZYKCZKULPZJB-OFLIFFFNSA-N
InChi (Click to copy)
InChI=1S/C42H72NO11P/c1-3-5-7-9-11-12-13-14-15-16-20-24-28-32-40(45)51-34-38(35-52-55(49,50)53-36-39(43)42(47)48)54-41(46)33-29-25-21-17-19-23-27-31-37(44)30-26-22-18-10-8-6-4-2/h17-18,21-23,26-27,30,38-39H,3-16,19-20,24-25,28-29,31-36,43H2,1-2H3,(H,47,48)(H,49,50)/b21-17-,22-18-,27-23-,30-26+/t38-,39+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\CC(=O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(=O)O