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
LM ID
LMFA01150033
Status
Active
Exact Mass
Calculate m/z
348.266445
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

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

Reference
Furan 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

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
Pubmed ID: 29051014
Olea europaea (#4146)
Magnoliopsida (#3398)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

HMDB ID
CHEBI ID
PubChem CID

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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Updated at
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