In-Silico Structure Database (LMISSD)
Common Name
PS(P-20:0/22:6(5E,7Z,10Z,13Z,16Z,19Z)(4OH))
Systematic Name
1-(1Z-eicosenyl)-2-(4-HDoHE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049FTW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
863.567637
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
GOWIIEMRFITUKS-PFLWXGGFSA-N
InChi (Click to copy)
InChI=1S/C48H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-40-56-41-45(42-57-60(54,55)58-43-46(49)48(52)53)59-47(51)39-38-44(50)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,35-37,40,44-46,50H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34,38-39,41-43,49H2,1-2H3,(H,52,53)(H,54,55)/b8-6-,14-12-,20-18-,27-25-,33-31-,37-35+,40-36-/t44?,45-,46+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC)(=O)O