In-Silico Structure Database (LMISSD)
Common Name
FAHFA 20:3(8Z,11Z,14Z)/12O(FA 18:0)
Systematic Name
12-O-8Z,11Z,14Z-eicosatrienoyl-12-hydroxyoctadecanoic acid
LM ID
LMFA0709A019
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
588.511760
Formula
Main
Classification
Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]
String Representations
InChiKey (Click to copy)
QSPGMUZTWWJJRG-NWFXIAEYSA-N
InChi (Click to copy)
InChI=1S/C38H68O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-24-27-31-35-38(41)42-36(32-28-8-6-4-2)33-29-25-22-20-21-23-26-30-34-37(39)40/h10-11,13-14,16-17,36H,3-9,12,15,18-35H2,1-2H3,(H,39,40)/b11-10-,14-13-,17-16-
SMILES (Click to copy)
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O