Structure Database (LMSD)

Common Name
15-(3,4-dimethyl-5-propylfuran-2-yl)-pentadecanoic acid
Systematic Name
15-(5-propyl-3,4-dimethylfuran-2-yl)-pentadecanoic acid
Synonyms
  • 15D3
  • 3,4-dimethyl-5-propyl-2-furanpentadecanoic
LM ID
LMFA01150020
Formula
C24H42O3
Exact Mass
Calculate m/z
378.313395
Sum Composition
FA 24:3;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]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Actinopterygii (#7898)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

String Representations

InChiKey (Click to copy)
OUOHNCBMSRPILC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H42O3/c1-4-17-22-20(2)21(3)23(27-22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
SMILES (Click to copy)
CCCC1=C(C)C(C)=C(CCCCCCCCCCCCCCC(=O)O)O1

Other Databases

HMDB ID
HMDB0112080
PubChem CID
131819621

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 418.95
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 7.55
Molar Refractivity 113.54

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Updated at
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