In-Silico Structure Database (LMISSD)
Common Name
PS(14:0/20:4(5Z,7E,11Z,14Z)(9OH[S]))
Systematic Name
1-tetradecanoyl-2-(9S-HETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AIK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
771.468652
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
CFJRDFLXJRIBPC-DCRNGLQISA-N
InChi (Click to copy)
InChI=1S/C40H70NO11P/c1-3-5-7-9-11-13-14-16-18-22-26-30-38(43)49-32-36(33-50-53(47,48)51-34-37(41)40(45)46)52-39(44)31-27-23-19-21-25-29-35(42)28-24-20-17-15-12-10-8-6-4-2/h12,15,19-21,24-25,29,35-37,42H,3-11,13-14,16-18,22-23,26-28,30-34,41H2,1-2H3,(H,45,46)(H,47,48)/b15-12-,21-19-,24-20-,29-25+/t35-,36+,37-/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=O)(=O)O