In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA0709A026
Common NameFAHFA 22:5(7Z,10Z,13Z,16Z,19Z)/12O(FA 18:0)
Systematic Name12-O-7Z,10Z,13Z,16Z,19Z-docosapentaenoyl-12-hydroxyoctadecanoic acid
Synonyms-
Exact Mass
612.5118 (neutral)    Calculate m/z:
FormulaC40H68O4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acid estolides [FA0709]
PubChem Compound ID (CID)-
InChIKeyOVMVDKNELOJSIU-GJCLIZKUSA-N
InChIInChI=1S/C40H68O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-33-37-40(
43)44-38(34-30-8-6-4-2)35-31-27-24-22-23-25-28-32-36-39(41)42/h5,7,10-11,13-14,1
6-17,19-20,38H,3-4,6,8-9,12,15,18,21-37H2,1-2H3,(H,41,42)/b7-5-,11-10-,14-13-,17
-16-,20-19-
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O
MS Spectra-     
StatusActive (generated by computational methods)