In-Silico Structure Database (LMISSD)
Common Name
PS(O-16:1(11Z)/20:3(8Z,11Z,14Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029AIE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
769.525772
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
CNQYISDGJBOBHJ-ZHQQPNIOSA-N
InChi (Click to copy)
InChI=1S/C42H76NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(44)52-39(37-50-53(47,48)51-38-40(43)42(45)46)36-49-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h10-13,17,19,21-22,39-40H,3-9,14-16,18,20,23-38,43H2,1-2H3,(H,45,46)(H,47,48)/b12-10-,13-11-,19-17-,22-21-/t39-,40+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCC/C=C\CCCC)(=O)O