Structure Database (LMSD)

Common Name
3-methyl-5-pentyl-2-furanoctanoic acid
Systematic Name
8-(3-methyl-5-pentylfuran-2-yl)octanoic acid
Synonyms
  • MeF(9,5)
LM ID
LMFA01150058
Formula
C18H30O3
Exact Mass
Calculate m/z
294.219495
Sum Composition
FA 18:3;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Catabolism of fish furan fatty acids to urofuran acids in the rat.,
Biochim Biophys Acta, 1983
Pubmed ID: 6849955

String Representations

InChiKey (Click to copy)
GJOKICFSPOJZMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-3-4-8-11-16-14-15(2)17(21-16)12-9-6-5-7-10-13-18(19)20/h14H,3-13H2,1-2H3,(H,19,20)
SMILES (Click to copy)
C(CCC)CC1=CC(C)=C(CCCCCCCC(=O)O)O1

Other Databases

PubChem CID
134812139

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 315.15
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.29
Molar Refractivity 85.72

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Updated at
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