Structure Database (LMSD)
Common Name
11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid
Systematic Name
(E)-11-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid
Synonyms
- 3,4-dimethyl-5-((E)pent-1-en-1-yl)-2-furanundecanoic acid
3D model of 11(E)-(3,4-dimethyl-5-(pent-1-en-1-yl)furan-2-yl)-undecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JDPJNLGDCVKZFL-NTCAYCPXSA-N
InChi (Click to copy)
InChI=1S/C22H36O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h12,15H,4-11,13-14,16-17H2,1-3H3,(H,23,24)/b15-12+
SMILES (Click to copy)
C(CC)/C=C/C1=C(C)C(C)=C(CCCCCCCCCCC(=O)O)O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Merluccius merluccius
(#8063)
Actinopteri
(#186623)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Prog Lipid Res, 2017
Pubmed ID:
29051014
Olea europaea
(#4146)
Magnoliopsida
(#3398)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Prog Lipid Res, 2017
Pubmed ID:
29051014
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
381.71
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.85
Molar Refractivity
105.02
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Created at
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Updated at
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