In-Silico Structure Database (LMISSD)
Common Name
PS(P-16:1(11Z)/18:2(9Z,11E)(13OH[S]))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(13S-HODE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049FJL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
757.489387
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
YMUJALNPZCIDFU-PINZKVIVSA-N
InChi (Click to copy)
InChI=1S/C40H72NO10P/c1-3-5-7-8-9-10-11-12-13-14-18-21-24-28-32-48-33-37(34-49-52(46,47)50-35-38(41)40(44)45)51-39(43)31-27-23-20-17-15-16-19-22-26-30-36(42)29-25-6-4-2/h8-9,19,22,26,28,30,32,36-38,42H,3-7,10-18,20-21,23-25,27,29,31,33-35,41H2,1-2H3,(H,44,45)(H,46,47)/b9-8-,22-19-,30-26+,32-28-/t36-,37+,38-/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\CCCCCCCC/C=C\CCCC)(=O)O