Structure Database (LMSD)
Common Name
Dehydromatricaric acid
Systematic Name
2E-decene-4,6,8-triynoic acid
Synonyms
3D model of Dehydromatricaric acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
IXWGFASHDDQZDI-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C10H6O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,1H3,(H,11,12)/b9-8+
SMILES (Click to copy)
C(/C=C/C#CC#CC#CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
178.02
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.66
Molar Refractivity
45.78
Admin
Created at
-
Updated at
25th Apr 2022