In-Silico Structure Database (LMISSD)
Common Name
PA(O-20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(11Z-eicosenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10029AWO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
760.540693
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
1-alkyl,2-acylglycerophosphates [GP1002]
String Representations
InChiKey (Click to copy)
KRQZQUVRXMQWGN-FSZCWDKFSA-N
InChi (Click to copy)
InChI=1S/C45H77O7P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-45(46)52-44(43-51-53(47,48)49)42-50-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,28,30,34,36,44H,3-4,6,8-10,12,14-16,21-22,25-27,29,31-33,35,37-43H2,1-2H3,(H2,47,48,49)/b7-5-,13-11-,19-17-,20-18-,24-23-,30-28-,36-34-/t44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCC/C=C\CCCCCCCC