Structure Database (LMSD)

Common Name
10-(3,4-dimethyl-5-pentylfuran-2-yl)-decanoic acid
Systematic Name
10-(5-pentyl-3,4-dimethylfuran-2-yl)-decanoic acid
Synonyms
  • 10D5
  • 3,4-dimethyl-5-pentyl-2-furandecanoic acid
LM ID
LMFA01150029
Status
Active
Exact Mass
Calculate m/z
336.266445
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
SWOLPSUMESXJAB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O3/c1-4-5-11-14-19-17(2)18(3)20(24-19)15-12-9-7-6-8-10-13-16-21(22)23/h4-16H2,1-3H3,(H,22,23)
SMILES (Click to copy)
C(CC)CCC1=C(C)C(C)=C(CCCCCCCCCC(=O)O)O1

References

Reference
Furan fatty acids – Beneficial or harmful to health?
Long Xua, Andrew J. Sinclair, Muniba Faiza, Daoming Li, Xianlin Han, Huiyong Yin,
Yonghua Wang. Progress in Lipid Research, Volume 68, October 2017, pp. 119-137.

https://www.sciencedirect.com/science/article/pii/S016378271730053X

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
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 367.05
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.38
Molar Refractivity 99.69

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Updated at
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