Structure Database (LMSD)

Common Name
5-(3,4-dimethyl-5-pentylfuran-2-yl)-pentanoic acid
Systematic Name
5-(5-pentyl-3,4-dimethylfuran-2-yl)-pentanoic acid
Synonyms
  • 5D5
  • 3,4-dimethyl-5-pentyl-2-furanpentanoic acid
LM ID
LMFA01150024
Formula
C16H26O3
Exact Mass
Calculate m/z
266.188195
Sum Composition
FA 16:3;O
Status
Active
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
Bos taurus (#9913)
Mammalia (#40674)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014
Perna canaliculus (#38949)
Bivalvia (#6544)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

String Representations

InChiKey (Click to copy)
IVHFOCAFZRRFIX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H26O3/c1-4-5-6-9-14-12(2)13(3)15(19-14)10-7-8-11-16(17)18/h4-11H2,1-3H3,(H,17,18)
SMILES (Click to copy)
C(CC)CCC1=C(C)C(C)=C(CCCCC(=O)O)O1

Other Databases

HMDB ID
HMDB0112085
CHEBI ID
184235
PubChem CID
85564651

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 280.55
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.43
Molar Refractivity 76.60

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Updated at
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