Structure Database (LMSD)
Common Name
2,6 dimethylheptanoyl carnitine
Systematic Name
3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of 2,6 dimethylheptanoyl carnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QBYXBONNCVATNQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3
SMILES (Click to copy)
O(C(=O)C(C)CCCC(C)C)C(C[N+](C)(C)C)CC(=O)[O-]
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
326.24
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
1.78
Molar Refractivity
81.94
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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Admin
Created at
-
Updated at
25th Apr 2022