Structure Database (LMSD)

Common Name
2-(5-hexadecylfuran-2-yl)-acetic acid
Systematic Name
5-hexadecyl-2-furanethanoic acid
Synonyms
LM ID
LMFA01150044
Status
Active
Exact Mass
Calculate m/z
350.282095
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
MYKNDMTYMCTYAG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(25-20)19-22(23)24/h17-18H,2-16,19H2,1H3,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCC)CCC1=CC=C(CC(=O)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Plakortis simplex (#252963)
Homoscleromorpha (#80999)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 384.35
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.93
Molar Refractivity 104.06

Admin

Created at
-
Updated at
-