In-Silico Structure Database (LMISSD)
Common Name
PS(P-16:1(11Z)/22:6(4Z,7Z,10Z,13Z,15E,19Z)(17OH))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(17-HDoHE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049FJ9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
805.489387
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
FLCFWZFBPKKQSQ-HCPQGDJUSA-N
InChi (Click to copy)
InChI=1S/C44H72NO10P/c1-3-5-7-8-9-10-11-12-16-19-22-25-28-32-36-52-37-41(38-53-56(50,51)54-39-42(45)44(48)49)55-43(47)35-31-27-24-21-18-15-13-14-17-20-23-26-30-34-40(46)33-29-6-4-2/h6,8-9,14-15,17-18,23-24,26-27,29-30,32,34,36,40-42,46H,3-5,7,10-13,16,19-22,25,28,31,33,35,37-39,45H2,1-2H3,(H,48,49)(H,50,51)/b9-8-,17-14-,18-15-,26-23-,27-24-,29-6-,34-30+,36-32-/t40?,41-,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(O)C/C=C\CC)=O)CO/C=C\CCCCCCCC/C=C\CCCC)(=O)O