Structure Database (LMSD)

Common Name
delta-nonyl-valeralactone
Systematic Name
5-Tetradecanolide
Synonyms
  • 6-Nonyl-tetrahydropyran-2-one
LM ID
LMFA07040045
Status
Active
Exact Mass
Calculate m/z
226.19328
Formula
C14H26O2
Abbrev
FA 14:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
SKQYTJLYRIFFCO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
SMILES (Click to copy)
C1CCC(=O)OC1CCCCCCCCC

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ovis aries (#9940)
Mammalia (#40674)
Nonacidic constituents of volatiles from cooked mutton,
J Agric Food Chem, 1979

Other Databases

HMDB ID
HMDB0038056
CHEBI ID
171877
PubChem CID
520296

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 253.34
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.51
Molar Refractivity 66.85

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Created at
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Updated at
28th Jun 2021