In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))
Systematic Name
1-pentadecanoyl-2-(14-HDoHE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049AMO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
809.484302
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
RXBBLYMQNWKRSK-NAYRKFCKSA-N
InChi (Click to copy)
InChI=1S/C43H72NO11P/c1-3-5-7-9-11-12-13-14-18-21-25-29-33-41(46)52-35-39(36-53-56(50,51)54-37-40(44)43(48)49)55-42(47)34-30-26-22-19-16-15-17-20-24-28-32-38(45)31-27-23-10-8-6-4-2/h6,8,15-16,20,22-24,26-28,32,38-40,45H,3-5,7,9-14,17-19,21,25,29-31,33-37,44H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,16-15-,24-20-,26-22-,27-23-,32-28+/t38?,39-,40+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O