Structure Database (LMSD)
Common Name
Decanoylcarnitine
Systematic Name
3-(decanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Decanoylcarnitine
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)
LZOSYCMHQXPBFU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
SMILES (Click to copy)
O(C(CCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
343.54
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
2.46
Molar Refractivity
86.70
Admin
Created at
-
Updated at
25th Apr 2022