Structure database (LMSD)

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LM IDLMFA01030883
Common NameCatalpic acid (W)
Systematic Name9E,11E,13Z-octadecatrienoic acid
Synonyms18:3(9E,11E,13Z)
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesOctadecanoids[FA02]
AbbrevFA 18:3
PubChem CID5385589
PlantFA ID10115
InChIKeyCUXYLFPMQMFGPL-WJTNUVGISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9+
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SMILES
C(CCCCCCC/C=C/C=C/C=C\CCCC)(=O)O
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StatusActive
ReferencesCatalpic acid decreases abdominal fat deposition,
improves glucose homeostasis
and upregulates PPAR alpha expression in adipose tissue.
Hontecillas R, Diguardo M, Duran E, Orpi M, Bassaganya-Riera J.
Clin Nutr. 2008 Oct;27(5):764-72. Epub 2008 Sep 7.
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
326.98Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.66Molar
Refractivity
86.90