Structure database (LMSD)

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LM IDLMFA01150014
Common Name13-(3-methyl-5-pentylfuran-2-yl)-tridecanoic acid
Systematic Name13-(5-pentyl-3-methylfuran-2-yl)-tridecanoic acid
Synonyms13M5
Exact Mass
364.2977 (neutral)    Calculate m/z:
FormulaC23H40O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHeterocyclic fatty acids [FA0115]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102], Hydroxy fatty acids[FA0105]
PubChem CID71443943
HMDB IDHMDB0061648
InChIKeyJXBLMIJDQFTVIE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H40O3/c1-3-4-13-16-21-19-20(2)22(26-21)17-14-11-9-7-5-6-8-10-12-15-1
8-23(24)25/h19H,3-18H2,1-2H3,(H,24,25)
SMILESC(CC)CCC1=CC(C)=C(CCCCCCCCCCCCC(=O)O)O1
StatusActive
ReferencesFuran fatty acids: Occurrence, synthesis, and reactions. Are furan fatty acids responsible for the cardioprotective effects of a fish diet? Gerhard Spiteller. Lipids, Volume 40, Issue 8, August 2005. pp 755–771.

https://link.springer.com/article/10.1007/s11745-005-1438-5
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings1Rotatable Bonds8
 van der Waals
Molecular Volume
269.68Topological Polar
Surface Area
107.97Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP2.29Molar
Refractivity
71.49