In-Silico Structure Database (LMISSD)
Common Name
PS(11:0/20:4(5Z,8Z,11Z,13E)(15OH[S]))
Systematic Name
1-undecanoyl-2-(15S-HETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AC0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
729.421702
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
OTFFCDNZGHVFQG-BIHORZCISA-N
InChi (Click to copy)
InChI=1S/C37H64NO11P/c1-3-5-7-8-9-16-19-23-27-35(40)46-29-33(30-47-50(44,45)48-31-34(38)37(42)43)49-36(41)28-24-20-17-14-12-10-11-13-15-18-22-26-32(39)25-21-6-4-2/h10-11,14-15,17-18,22,26,32-34,39H,3-9,12-13,16,19-21,23-25,27-31,38H2,1-2H3,(H,42,43)(H,44,45)/b11-10-,17-14-,18-15-,26-22+/t32-,33+,34-/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCCC)=O)COC(CCCCCCCCCC)=O)(=O)O