Structure Database (LMSD)

Common Name
Furocarpic acid
Systematic Name
8-(5-hexyl-furan-2-yl)-octanoic acid
Synonyms
LM ID
LMFA01150001
Status
Active
Exact Mass
Calculate m/z
294.219495
Formula
C18H30O3
Abbrev
FA 18:3;O
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Heterocyclic fatty acids [FA0115]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
SZNVIDWMWMWUCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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)
SMILES (Click to copy)
C1C=C(CCCCCCCC(=O)O)OC=1CCCCCC

References

Other Databases

KEGG ID
C13798
HMDB ID
HMDB0112099
CHEBI ID
34491
PubChem CID
395943

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 315.15
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 85.60

Admin

Created at
-
Updated at
-