Structure Database (LMSD)

Common Name
S-cucujolide III
Systematic Name
5Z-Tetradecen-13S-olide
Synonyms
LM ID
LMFA07040046
Status
Active
Exact Mass
Calculate m/z
224.17763
Formula
C14H24O2
Abbrev
FA 14:2
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 esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
UNYFVMZKRMXDRF-AGLBCWCQSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h4,6,13H,2-3,5,7-12H2,1H3/b6-4-/t13-/m0/s1
SMILES (Click to copy)
C1(O[C@@H](C)CCCCCCC=CCCC1)=O

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
177102
PubChem CID
10867948

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 250.70
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.29
Molar Refractivity 66.76

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Created at
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Updated at
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