Structure Database (LMSD)

Common Name
S-cucujolide III
Systematic Name
5Z-Tetradecen-13S-olide
Synonyms
LM ID
LMFA07040046
Formula
C14H24O2
Exact Mass
Calculate m/z
224.17763
Sum Composition
FA 14:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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]

Biological Context

References

Comments
Pherobase Semiochemicals

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)
C[C@H]1CCCCCC/C=C\CCCC(=O)O1

Other Databases

CHEBI ID
177102
PubChem CID
10867948
NP-MRD ID(NMR)
NP0198035

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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Updated at
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