In-Silico Structure Database (LMISSD)
Common Name
PS(P-16:1(11Z)/20:4(5Z,7E,11Z,14Z)(9OH[S]))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(9S-HETE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049FJW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
781.489387
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
ZHZCJSZPWCVMKY-OKMSWQAOSA-N
InChi (Click to copy)
InChI=1S/C42H72NO10P/c1-3-5-7-9-11-13-14-15-16-17-19-21-26-30-34-50-35-39(36-51-54(48,49)52-37-40(43)42(46)47)53-41(45)33-29-25-22-24-28-32-38(44)31-27-23-20-18-12-10-8-6-4-2/h9,11-12,18,22-24,27-28,30,32,34,38-40,44H,3-8,10,13-17,19-21,25-26,29,31,33,35-37,43H2,1-2H3,(H,46,47)(H,48,49)/b11-9-,18-12-,24-22-,27-23-,32-28+,34-30-/t38-,39+,40-/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC)(=O)O