In-Silico Structure Database (LMISSD)
Common Name
FAHFA 11:0/12O(FA 18:0)
Systematic Name
12-O-undecanoyl-12-hydroxyoctadecanoic acid
LM ID
LMFA0709A002
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
468.417860
Formula
Main
Classification
Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]
String Representations
InChiKey (Click to copy)
HEFKRRJFICGOLZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H56O4/c1-3-5-7-9-10-15-18-22-26-29(32)33-27(23-19-8-6-4-2)24-20-16-13-11-12-14-17-21-25-28(30)31/h27H,3-26H2,1-2H3,(H,30,31)
SMILES (Click to copy)
CCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O