In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/18:2(9Z,12Z)(8OH[R]))
Systematic Name
1-pentadecanoyl-2-(8R-HODE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AL2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
761.484302
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
WCZPLLWAMGZVBS-WWDSMWDUSA-N
InChi (Click to copy)
InChI=1S/C39H72NO11P/c1-3-5-7-9-11-13-14-15-16-18-20-25-29-37(42)48-31-35(32-49-52(46,47)50-33-36(40)39(44)45)51-38(43)30-26-22-21-24-28-34(41)27-23-19-17-12-10-8-6-4-2/h12,17,23,27,34-36,41H,3-11,13-16,18-22,24-26,28-33,40H2,1-2H3,(H,44,45)(H,46,47)/b17-12-,27-23-/t34-,35+,36-/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCC[C@@H](O)/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O