Structure Database (LMSD)
Common Name
Deca-2,4,6-triynedioic acid
Systematic Name
Deca-2,4,6-triynedioic acid
Synonyms
LM ID
LMFA01031138
Formula
Exact Mass
Calculate m/z
190.02661
Sum Composition
Status
Curated
3D model of Deca-2,4,6-triynedioic 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
References
Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
String Representations
InChiKey (Click to copy)
AXNJDXRYHHYANB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H2,(H,11,12)(H,13,14)
SMILES (Click to copy)
C(C(=O)O)CC#CC#CC#CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
195.60
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
-0.05
Molar Refractivity
47.83
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Created at
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Updated at
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