In-Silico Structure Database (LMISSD)
Common Name
PS(P-22:0/18:2(10E,12Z)(9OH[S]))
Systematic Name
1-(1Z-docosenyl)-2-(9S-HODE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049FYL
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)
OZFHYDLQEILJER-UPDNNMBFSA-N
InChi (Click to copy)
InChI=1S/C46H86NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-34-38-54-39-43(40-55-58(52,53)56-41-44(47)46(50)51)57-45(49)37-33-29-26-28-32-36-42(48)35-31-27-24-10-8-6-4-2/h24,27,31,34-35,38,42-44,48H,3-23,25-26,28-30,32-33,36-37,39-41,47H2,1-2H3,(H,50,51)(H,52,53)/b27-24-,35-31+,38-34-/t42-,43-,44+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC[C@H](O)/C=C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCCCC)(=O)O