In-Silico Structure Database (LMISSD)
Common Name
PS(14:1(9Z)/20:4(5Z,9E,11Z,14Z)(8Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(8-Oxo-ETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AKN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
767.437352
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
GURDMCQTNGGAKQ-VBUBVGFNSA-N
InChi (Click to copy)
InChI=1S/C40H66NO11P/c1-3-5-7-9-11-13-15-17-19-21-26-30-38(43)49-32-36(33-50-53(47,48)51-34-37(41)40(45)46)52-39(44)31-27-23-22-25-29-35(42)28-24-20-18-16-14-12-10-8-6-4-2/h9,11-12,14,18,20,22,24-25,28,36-37H,3-8,10,13,15-17,19,21,23,26-27,29-34,41H2,1-2H3,(H,45,46)(H,47,48)/b11-9-,14-12-,20-18-,25-22-,28-24+/t36-,37+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(=O)O