Structure Database (LMSD)

Common Name
Odyssic acid
Systematic Name
4-hydroxy-5,6-dodecadiene-8,10-diynoic acid
Synonyms
LM ID
LMFA01031114
Formula
C12H12O3
Exact Mass
Calculate m/z
204.078645
Sum Composition
FA 12:6;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

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)
JBHZDNMPKRGXNW-RGENBBCFSA-N
InChi (Click to copy)
InChI=1S/C12H12O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h6,8,11,13H,9-10H2,1H3,(H,14,15)/t7-,11?/m0/s1
SMILES (Click to copy)
C(CCC(O)C([H])=[C@]=C([H])C#CC#CC)(=O)O

Other Databases

PubChem CID
10081620

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 224.05
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.24
Molar Refractivity 57.27

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Updated at
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