Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01150001
Common NameFurocarpic acid
Systematic Name8-(5-hexyl-furan-2-yl)-octanoic acid
Synonyms-
Exact Mass
294.2195 (neutral)    Calculate m/z:
FormulaC18H30O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHeterocyclic fatty acids [FA0115]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID395943
HMDB IDHMDB0112099
CHEBI ID34491
InChIKeySZNVIDWMWMWUCY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-
15H,2-13H2,1H3,(H,19,20)
SMILESC1C=C(CCCCCCCC(=O)O)OC=1CCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
315.15Topological Polar
Surface Area
50.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.37Molar
Refractivity
85.60