In-Silico Structure Database (LMISSD)
Common Name
FAHFA 17:0/12O(FA 18:0)
Systematic Name
12-O-heptadecanoyl-12-hydroxyoctadecanoic acid
LM ID
LMFA0709A010
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
552.511760
Formula
Main
Classification
Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]
String Representations
InChiKey (Click to copy)
DEZDEIKESIOMAC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H68O4/c1-3-5-7-9-10-11-12-13-14-15-16-21-24-28-32-35(38)39-33(29-25-8-6-4-2)30-26-22-19-17-18-20-23-27-31-34(36)37/h33H,3-32H2,1-2H3,(H,36,37)
SMILES (Click to copy)
CCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O