Structure Database (LMSD)
Common Name
pivaloylcarnitine
Systematic Name
3-[(2,2-dimethylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of pivaloylcarnitine
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)
YICAQFPUDACYGQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H23NO4/c1-12(2,3)11(16)17-9(7-10(14)15)8-13(4,5)6/h9H,7-8H2,1-6H3
SMILES (Click to copy)
CC(C(OC(C[N+](C)(C)C)CC([O-])=O)=O)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
257.04
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
0.36
Molar Refractivity
63.55
Admin
Created at
-
Updated at
25th Apr 2022