In-Silico Structure Database (LMISSD)
Common Name
PS(P-22:0/18:2(9Z,11E)(13OH[S]))
Systematic Name
1-(1Z-docosenyl)-2-(13S-HODE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049FYP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
843.598937
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
CKHVGSYJQFMGRW-OETSSESKSA-N
InChi (Click to copy)
InChI=1S/C46H86NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30-34-38-54-39-43(40-55-58(52,53)56-41-44(47)46(50)51)57-45(49)37-33-29-26-23-21-22-25-28-32-36-42(48)35-31-6-4-2/h25,28,32,34,36,38,42-44,48H,3-24,26-27,29-31,33,35,37,39-41,47H2,1-2H3,(H,50,51)(H,52,53)/b28-25-,36-32+,38-34-/t42-,43+,44-/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C=C\[C@@H](O)CCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCCCC)(=O)O