In-Silico Structure Database (LMISSD)
Common Name
FAHFA 20:0/12O(FA 18:0)
Systematic Name
12-O-eicosanoyl-12-hydroxyoctadecanoic acid
LM ID
LMFA0709A016
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
594.558710
Formula
Main
Classification
Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]
String Representations
InChiKey (Click to copy)
HTSCWKJNHSUQHS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H74O4/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/h36H,3-35H2,1-2H3,(H,39,40)
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O