Structure database (LMSD)

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LM IDLMFA01150035
Common Name2-(5-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-ethanoic acid
Systematic Name2-(5-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-acetic acid
Synonyms5-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)-2-furanethanoic acid
Exact Mass
314.1882 (neutral)    Calculate m/z:
FormulaC20H26O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHeterocyclic fatty acids [FA0115]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID10358283
InChIKeyASCYUTAWNJPWQT-LTKCOYKYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-20(21)2
2/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-
12-
SMILESC(=C/C/C=C\C/C=C\C/C=C\CC)/CC1=CC=C(CC(=O)O)O1
StatusActive
ReferencesFuran 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
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings1Rotatable Bonds11
 van der Waals
Molecular Volume
339.19Topological Polar
Surface Area
50.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.25Molar
Refractivity
94.45