Structure Database (LMSD)

Common Name
2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acid
Systematic Name
2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-acetic acid
Synonyms
  • 5-((3Z,13Z)-eicosa-3,13-diene-1-yl)-2-furanethanoic acid
LM ID
LMFA01150034
Status
Active
Exact Mass
Calculate m/z
402.313395
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
WRGYPEJIHKRYHB-GROAESOISA-N
InChi (Click to copy)
InChI=1S/C26H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-25(29-24)23-26(27)28/h7-8,17-18,21-22H,2-6,9-16,19-20,23H2,1H3,(H,27,28)/b8-7-,18-17-
SMILES (Click to copy)
C(=C/CCCCCCCC/C=C\CCCCCC)/CCC1=CC=C(CC(=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
Dictyonella incisa (#6069)
Demospongiae (#6042)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings 1
Rotatable Bonds 19
Van der Waals Molecular Volume 448.27
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 8.04
Molar Refractivity 122.34

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Updated at
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