Structure Database (LMSD)
Common Name
Z,E-Matricaric acid
Systematic Name
2Z,8E-decadiene-4,6-diynoic acid
Synonyms
3D model of Z,E-Matricaric 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.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
XFJJYWHEBHHXPH-BVCYWKNDSA-N
InChi (Click to copy)
InChI=1S/C10H8O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,8-9H,1H3,(H,11,12)/b3-2+,9-8-
SMILES (Click to copy)
C(/C=C\C#CC#C/C=C/C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
180.66
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.21
Molar Refractivity
47.14
Admin
Created at
-
Updated at
25th Apr 2022