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
Status
Active
Exact Mass
Calculate m/z
392.329045
Formula
C25H44O3
Abbrev
FA 25:3;O
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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
-