Structure Database (LMSD)

Common Name
Odyssin
Systematic Name
5,6-dodecadiene-8,10-diyn-4-olide
Synonyms
LM ID
LMFA07040146
Formula
C12H10O2
Exact Mass
Calculate m/z
186.06808
Sum Composition
FA 12:7
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Basidiomycota (#38240)
Chemistry of the higher fungi. VII. Odyssic acid and odyssin,
J Chem Soc, 1957

String Representations

InChiKey (Click to copy)
YKVMBZUGPYHYLZ-RGENBBCFSA-N
InChi (Click to copy)
InChI=1S/C12H10O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6,8,11H,9-10H2,1H3/t7-,11?/m0/s1
SMILES (Click to copy)
C1(CCC(=O)O1)C([H])=[C@]=C([H])C#CC#CC

Other Databases

PubChem CID
12313690

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 202.90
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.72
Molar Refractivity 53.50

Admin

Created at
13th Apr 2021
Updated at
13th Apr 2021