Structure Database (LMSD)
Common Name
Tiglylcarnitine
Systematic Name
3-{[(2E)-2-methylbut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Tiglylcarnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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)
WURBQCVBQNMUQT-RMKNXTFCSA-N
InChi (Click to copy)
InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+
SMILES (Click to copy)
[N+](C)(C)(C)CC(OC(=O)/C(/C)=C/C)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
254.40
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
0.28
Molar Refractivity
63.52
Admin
Created at
-
Updated at
25th Apr 2022