Structure Database (LMSD)
Common Name
9-(3-methyl-5-propylfuran-2-yl)-nonanoic acid
Systematic Name
9-(5-propyl-3-methylfuran-2-yl)-nonanoic acid
Synonyms
- 9M3
- 3-methyl-5-propyl-2-furannonanoic acid
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KBPXPNAPONVMFL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-3-10-15-13-14(2)16(20-15)11-8-6-4-5-7-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)
SMILES (Click to copy)
CCCC1=CC(C)=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
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
Gadus morhua
(#8049)
Actinopteri
(#186623)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Prog Lipid Res, 2017
Pubmed ID:
29051014
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
1
Rotatable Bonds
11
Van der Waals Molecular Volume
297.85
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.90
Molar Refractivity
81.10
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Updated at
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