In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/18:2(9Z,11E)(13OH[S]))
Systematic Name
1-pentadecanoyl-2-(13S-HODE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AL1
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)
HBRZORDLWZUMKA-NMSPFOLKSA-N
InChi (Click to copy)
InChI=1S/C39H72NO11P/c1-3-5-7-8-9-10-11-12-15-18-21-25-29-37(42)48-31-35(32-49-52(46,47)50-33-36(40)39(44)45)51-38(43)30-26-22-19-16-13-14-17-20-24-28-34(41)27-23-6-4-2/h17,20,24,28,34-36,41H,3-16,18-19,21-23,25-27,29-33,40H2,1-2H3,(H,44,45)(H,46,47)/b20-17-,28-24+/t34-,35+,36-/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)COC(CCCCCCCCCCCCCC)=O)(=O)O