Structure Database (LMSD)

O OH O
Common Name
11-(3-methyl-5-propylfuran-2-yl)-undecanoic acid
Systematic Name
11-(5-propyl-3-methylfuran-2-yl)-undecanoic acid
Synonyms
  • 11M3
  • 3-methyl-5-propyl-2-furanundecanoic acid
LM ID
LMFA01150018
Formula
C19H32O3
Exact Mass
Calculate m/z
308.235145
Sum Composition
FA 19:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Heterocyclic fatty acids [FA0115]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
XZOBJEOEOJXQBF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-3-12-17-15-16(2)18(22-17)13-10-8-6-4-5-7-9-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
SMILES (Click to copy)
CCCC1=CC(C)=C(CCCCCCCCCCC(=O)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phaeodactylum tricornutum (#2850)
Bacillariophyceae (#33849)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

HMDB ID
HMDB0061646
CHEBI ID
156189
PubChem CID
71339239

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 332.45
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.68
Molar Refractivity 90.33

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Created at
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Updated at
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