Structure Database (LMSD)
Common Name
Thudichumic acid
Systematic Name
13Z-heptadecenoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Thudichumic 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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References
String Representations
InChiKey (Click to copy)
UGYWQWBHSCTOQG-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h4-5H,2-3,6-16H2,1H3,(H,18,19)/b5-4-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
314.96
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.72
Molar Refractivity
82.47
Admin
Created at
19th Jul 2023
Updated at
19th Jul 2023