Structure Database (LMSD)

Common Name
9-(5-pentylfuran-2-yl)-nonanoic acid
Systematic Name
5-pentyl-2-furannonanoic acid
Synonyms
LM ID
LMFA01150042
Status
Active
Exact Mass
Calculate m/z
294.219495
Formula
C18H30O3
Abbrev
FA 18:3;O
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Heterocyclic fatty acids [FA0115]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
BJTONYHCPUUWFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-8-11-16-14-15-17(21-16)12-9-6-4-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CC)CCC1=CC=C(CCCCCCCCC(=O)O)O1

References

Reference
Furan fatty acids – Beneficial or harmful to health?
Long Xua, Andrew J. Sinclair, Muniba Faiza, Daoming Li, Xianlin Han, Huiyong Yin,
Yonghua Wang. Progress in Lipid Research, Volume 68, October 2017, pp. 119-137.

https://www.sciencedirect.com/science/article/pii/S016378271730053X

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

HMDB ID
HMDB0112102
PubChem CID
53685760
Cayman ID
26767

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 315.15
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 85.60

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