Structure Database (LMSD)

Common Name
2-(5-((2Z,5Z,8Z,11E)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-ethanoic acid
Systematic Name
2-(5-((2Z,5Z,8Z,11E)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-acetic acid
Synonyms
  • 5-((2Z,5Z,8Z,11E)-tetradeca-2,5,8,11-tetraen-1-yl)-2-furanethanoic acid
LM ID
LMFA01150036
Formula
C20H26O3
Exact Mass
Calculate m/z
314.188195
Sum Composition
FA 20:7;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Heterocyclic fatty acids [FA0115]
Unsaturated fatty acids [FA0103]

References

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

String Representations

InChiKey (Click to copy)
ASCYUTAWNJPWQT-SVQCLFHDSA-N
InChi (Click to copy)
InChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3+,7-6-,10-9-,13-12-
SMILES (Click to copy)
C(=C/C/C=C\C/C=C\C/C=C/CC)/CC1=CC=C(CC(=O)O)O1

Other Databases

PubChem CID
23427119

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 11
Van der Waals Molecular Volume 339.19
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.25
Molar Refractivity 94.45

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Created at
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Updated at
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