In-Silico Structure Database (LMISSD)
Common Name
PS(P-16:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039AD8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
789.494472
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
WCHIVOPLZYPHMN-XFUFKPTBSA-N
InChi (Click to copy)
InChI=1S/C44H72NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(46)54-41(39-52-55(49,50)53-40-42(45)44(47)48)38-51-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,10-13,17,19,21-22,24,26,30,32,35,37,41-42H,3-4,6,8-9,14-16,18,20,23,25,27-29,31,33-34,36,38-40,45H2,1-2H3,(H,47,48)(H,49,50)/b7-5-,12-10-,13-11-,19-17-,22-21-,26-24-,32-30-,37-35-/t41-,42+/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\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCC/C=C\CCCC)(=O)O