Structure database (LMSD)

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LM IDLMFA01150015
Common Name13-(3,4-dimethyl-5-pentylfuran-2-yl)-tridecanoic acid
Systematic Name13-(5-pentyl-3,4-dimethylfuran-2-yl)-tridecanoic acid
Synonyms13D5
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 CID71443942
HMDB IDHMDB0061649
InChIKeyRCISJPUCXSEESK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H42O3/c1-4-5-14-17-22-20(2)21(3)23(27-22)18-15-12-10-8-6-7-9-11-13-1
6-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
SMILESC1(C)C(C)=C(CCCCCCCCCCCCC(=O)O)OC=1CCCCC
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 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