Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01150020
Common Name15-(3,4-dimethyl-5-propylfuran-2-yl)-pentadecanoic acid
Systematic Name15-(5-propyl-3,4-dimethylfuran-2-yl)-pentadecanoic acid
Synonyms15D3; 3,4-dimethyl-5-propyl-2-furanpentadecanoic
Exact Mass
378.3134 (neutral)    Calculate m/z:
FormulaC24H42O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHeterocyclic fatty acids [FA0115]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
PubChem CID131819621
HMDB IDHMDB0112080
InChIKeyOUOHNCBMSRPILC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H42O3/c1-4-17-22-20(2)21(3)23(27-22)18-15-13-11-9-7-5-6-8-10-12-14-1
6-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
SMILESCCCC1=C(C)C(C)=C(CCCCCCCCCCCCCCC(=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 Atoms27Rings1Aromatic Rings1Rotatable Bonds17
 van der Waals
Molecular Volume
418.95Topological Polar
Surface Area
50.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP7.55Molar
Refractivity
113.54