Structure Database (LMSD)

Common Name
15-(3-methyl-5-pentylfuran-2-yl)-pentadecanoic acid
Systematic Name
15-(5-pentyl-3-methylfuran-2-yl)-pentadecanoic acid
Synonyms
  • 15M5
  • 3-methyl-5-pentyl-2-furanpentadecanoic acid
LM ID
LMFA01150030
Formula
C25H44O3
Exact Mass
Calculate m/z
392.329045
Sum Composition
FA 25:3;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)
ZXUFZNDRPGKIFV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H44O3/c1-3-4-15-18-23-21-22(2)24(28-23)19-16-13-11-9-7-5-6-8-10-12-14-17-20-25(26)27/h21H,3-20H2,1-2H3,(H,26,27)
SMILES (Click to copy)
C(CC)CCC1=CC(C)=C(CCCCCCCCCCCCCCC(=O)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Procambarus clarkii (#6728)
Malacostraca (#6681)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

HMDB ID
HMDB0112082
PubChem CID
131819623

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 1
Rotatable Bonds 19
Van der Waals Molecular Volume 436.25
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 8.02
Molar Refractivity 118.03

Admin

Created at
-
Updated at
22nd Apr 2021