LIPID MAPS

Structure Database (LMSD)

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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

Formula

C₁₈H₃₀O₃

Exact Mass

Calculate m/z

294.219495

Sum Composition

FA 18:3;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

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