Structure Database (LMSD)

Common Name
7-(3,4-dimethyl-5-pentylfuran-2-yl)-heptanoic acid
Systematic Name
7-(5-pentyl-3,4-dimethylfuran-2-yl)-heptanoic acid
Synonyms
  • 7D5
  • 3,4-dimethyl-5-pentyl-2-furanheptanoic acid
LM ID
LMFA01150027
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
RFNALLFQILGKLF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-4-5-8-11-16-14(2)15(3)17(21-16)12-9-6-7-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)
SMILES (Click to copy)
C(CC)CCC1=C(C)C(C)=C(CCCCCCC(=O)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Procambarus clarkii (#6728)
Malacostraca (#6681)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014
Bos taurus (#9913)
Mammalia (#40674)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

HMDB ID
HMDB0039603
CHEBI ID
165397
PubChem CID
13963863

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 11
Van der Waals Molecular Volume 315.15
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.21
Molar Refractivity 85.84

Admin

Created at
-
Updated at
-